Daily Papers

Paraphrases represent a human's intuitive ability to understand expressions presented in various different ways. Current paraphrase evaluations of language models primarily use binary approaches, offering limited interpretability of specific text changes. Atomic paraphrase types (APT) decompose paraphrases into different linguistic changes and offer a granular view of the flexibility in linguistic expression (e.g., a shift in syntax or vocabulary used). In this study, we assess the human preferences towards ChatGPT in generating English paraphrases with ten APTs and five prompting techniques. We introduce APTY (Atomic Paraphrase TYpes), a dataset of 500 sentence-level and word-level annotations by 15 annotators. The dataset also provides a human preference ranking of paraphrases with different types that can be used to fine-tune models with RLHF and DPO methods. Our results reveal that ChatGPT can generate simple APTs, such as additions and deletions, but struggle with complex structures (e.g., subordination changes). This study contributes to understanding which aspects of paraphrasing language models have already succeeded at understanding and what remains elusive. In addition, our curated datasets can be used to develop language models with specific linguistic capabilities.

Paraphrasing re-expresses meaning to enhance applications like text simplification, machine translation, and question-answering. Specific paraphrase types facilitate accurate semantic analysis and robust language models. However, existing paraphrase-type generation methods often misalign with human preferences due to reliance on automated metrics and limited human-annotated training data, obscuring crucial aspects of semantic fidelity and linguistic transformations. This study addresses this gap by leveraging a human-ranked paraphrase-type dataset and integrating Direct Preference Optimization (DPO) to align model outputs directly with human judgments. DPO-based training increases paraphrase-type generation accuracy by 3 percentage points over a supervised baseline and raises human preference ratings by 7 percentage points. A newly created human-annotated dataset supports more rigorous future evaluations. Additionally, a paraphrase-type detection model achieves F1 scores of 0.91 for addition/deletion, 0.78 for same polarity substitution, and 0.70 for punctuation changes. These findings demonstrate that preference data and DPO training produce more reliable, semantically accurate paraphrases, enabling downstream applications such as improved summarization and more robust question-answering. The PTD model surpasses automated metrics and provides a more reliable framework for evaluating paraphrase quality, advancing paraphrase-type research toward richer, user-aligned language generation and establishing a stronger foundation for future evaluations grounded in human-centric criteria.

Current approaches in paraphrase generation and detection heavily rely on a single general similarity score, ignoring the intricate linguistic properties of language. This paper introduces two new tasks to address this shortcoming by considering paraphrase types - specific linguistic perturbations at particular text positions. We name these tasks Paraphrase Type Generation and Paraphrase Type Detection. Our results suggest that while current techniques perform well in a binary classification scenario, i.e., paraphrased or not, the inclusion of fine-grained paraphrase types poses a significant challenge. While most approaches are good at generating and detecting general semantic similar content, they fail to understand the intrinsic linguistic variables they manipulate. Models trained in generating and identifying paraphrase types also show improvements in tasks without them. In addition, scaling these models further improves their ability to understand paraphrase types. We believe paraphrase types can unlock a new paradigm for developing paraphrase models and solving tasks in the future.

Paraphrases are texts that convey the same meaning while using different words or sentence structures. It can be used as an automatic data augmentation tool for many Natural Language Processing tasks, especially when dealing with low-resource languages, where data shortage is a significant problem. To generate a paraphrase in multilingual settings, previous studies have leveraged the knowledge from the machine translation field, i.e., forming a paraphrase through zero-shot machine translation in the same language. Despite good performance on human evaluation, those methods still require parallel translation datasets, thus making them inapplicable to languages that do not have parallel corpora. To mitigate that problem, we proposed the first unsupervised multilingual paraphrasing model, LAMPAT (Low-rank Adaptation for Multilingual Paraphrasing using Adversarial Training), by which monolingual dataset is sufficient enough to generate a human-like and diverse sentence. Throughout the experiments, we found out that our method not only works well for English but can generalize on unseen languages as well. Data and code are available at https://github.com/VinAIResearch/LAMPAT.

We release our synthetic parallel paraphrase corpus across 17 languages: Arabic, Catalan, Czech, German, English, Spanish, Estonian, French, Hindi, Indonesian, Italian, Dutch, Romanian, Russian, Swedish, Vietnamese, and Chinese. Our method relies only on monolingual data and a neural machine translation system to generate paraphrases, hence simple to apply. We generate multiple translation samples using beam search and choose the most lexically diverse pair according to their sentence BLEU. We compare our generated corpus with the ParaBank2. According to our evaluation, our synthetic paraphrase pairs are semantically similar and lexically diverse.

This paper accompanies the release of Opusparcus, a new paraphrase corpus for six European languages: German, English, Finnish, French, Russian, and Swedish. The corpus consists of paraphrases, that is, pairs of sentences in the same language that mean approximately the same thing. The paraphrases are extracted from the OpenSubtitles2016 corpus, which contains subtitles from movies and TV shows. The informal and colloquial genre that occurs in subtitles makes such data a very interesting language resource, for instance, from the perspective of computer assisted language learning. For each target language, the Opusparcus data have been partitioned into three types of data sets: training, development and test sets. The training sets are large, consisting of millions of sentence pairs, and have been compiled automatically, with the help of probabilistic ranking functions. The development and test sets consist of sentence pairs that have been checked manually; each set contains approximately 1000 sentence pairs that have been verified to be acceptable paraphrases by two annotators.

We propose ParaSCI, the first large-scale paraphrase dataset in the scientific field, including 33,981 paraphrase pairs from ACL (ParaSCI-ACL) and 316,063 pairs from arXiv (ParaSCI-arXiv). Digging into characteristics and common patterns of scientific papers, we construct this dataset though intra-paper and inter-paper methods, such as collecting citations to the same paper or aggregating definitions by scientific terms. To take advantage of sentences paraphrased partially, we put up PDBERT as a general paraphrase discovering method. The major advantages of paraphrases in ParaSCI lie in the prominent length and textual diversity, which is complementary to existing paraphrase datasets. ParaSCI obtains satisfactory results on human evaluation and downstream tasks, especially long paraphrase generation.

Paraphrase generation has been widely used in various downstream tasks. Most tasks benefit mainly from high quality paraphrases, namely those that are semantically similar to, yet linguistically diverse from, the original sentence. Generating high-quality paraphrases is challenging as it becomes increasingly hard to preserve meaning as linguistic diversity increases. Recent works achieve nice results by controlling specific aspects of the paraphrase, such as its syntactic tree. However, they do not allow to directly control the quality of the generated paraphrase, and suffer from low flexibility and scalability. Here we propose QCPG, a quality-guided controlled paraphrase generation model, that allows directly controlling the quality dimensions. Furthermore, we suggest a method that given a sentence, identifies points in the quality control space that are expected to yield optimal generated paraphrases. We show that our method is able to generate paraphrases which maintain the original meaning while achieving higher diversity than the uncontrolled baseline. The models, the code, and the data can be found in https://github.com/IBM/quality-controlled-paraphrase-generation.

Dense retrieval has become a prominent method to obtain relevant context or world knowledge in open-domain NLP tasks. When we use a learned dense retriever on a retrieval corpus at inference time, an often-overlooked design choice is the retrieval unit in which the corpus is indexed, e.g. document, passage, or sentence. We discover that the retrieval unit choice significantly impacts the performance of both retrieval and downstream tasks. Distinct from the typical approach of using passages or sentences, we introduce a novel retrieval unit, proposition, for dense retrieval. Propositions are defined as atomic expressions within text, each encapsulating a distinct factoid and presented in a concise, self-contained natural language format. We conduct an empirical comparison of different retrieval granularity. Our results reveal that proposition-based retrieval significantly outperforms traditional passage or sentence-based methods in dense retrieval. Moreover, retrieval by proposition also enhances the performance of downstream QA tasks, since the retrieved texts are more condensed with question-relevant information, reducing the need for lengthy input tokens and minimizing the inclusion of extraneous, irrelevant information.

We provide here a dataset for tasks related to natural language understanding and natural language inference. The dataset contains logical puzzles in natural language from three domains: comparing puzzles, knighs and knaves, and zebra puzzles. Each puzzle is associated with the entire set of atomic questions that can be generated based on the relations and individuals occurring in the text. For each question we provide the correct answer: entailment, contradiction or ambiguity. The answer's correctness is verified against theorem provers. Good puzzles have two properties: (i) each piece of information is necessary and (ii) no unnecessary information is provided. These properties make puzzles interesting candidates for machine comprehension tasks.

The task of determining whether two texts are paraphrases has long been a challenge in NLP. However, the prevailing notion of paraphrase is often quite simplistic, offering only a limited view of the vast spectrum of paraphrase phenomena. Indeed, we find that evaluating models in a paraphrase dataset can leave uncertainty about their true semantic understanding. To alleviate this, we release paraphrasus, a benchmark designed for multi-dimensional assessment of paraphrase detection models and finer model selection. We find that paraphrase detection models under a fine-grained evaluation lens exhibit trade-offs that cannot be captured through a single classification dataset.

Paraphrasing of offensive content is a better alternative to content removal and helps improve civility in a communication environment. Supervised paraphrasers; however, rely heavily on large quantities of labelled data to help preserve meaning and intent. They also retain a large portion of the offensiveness of the original content, which raises questions on their overall usability. In this paper we aim to assist practitioners in developing usable paraphrasers by exploring In-Context Learning (ICL) with large language models (LLMs), i.e., using a limited number of input-label demonstration pairs to guide the model in generating desired outputs for specific queries. Our study focuses on key factors such as -- number and order of demonstrations, exclusion of prompt instruction, and reduction in measured toxicity. We perform principled evaluation on three datasets, including our proposed Context-Aware Polite Paraphrase dataset, comprising of dialogue-style rude utterances, polite paraphrases, and additional dialogue context. We evaluate our approach using two closed source and one open source LLM. Our results reveal that ICL is comparable to supervised methods in generation quality, while being qualitatively better by 25% on human evaluation and attaining lower toxicity by 76%. Also, ICL-based paraphrasers only show a slight reduction in performance even with just 10% training data.

We describe PARANMT-50M, a dataset of more than 50 million English-English sentential paraphrase pairs. We generated the pairs automatically by using neural machine translation to translate the non-English side of a large parallel corpus, following Wieting et al. (2017). Our hope is that ParaNMT-50M can be a valuable resource for paraphrase generation and can provide a rich source of semantic knowledge to improve downstream natural language understanding tasks. To show its utility, we use ParaNMT-50M to train paraphrastic sentence embeddings that outperform all supervised systems on every SemEval semantic textual similarity competition, in addition to showing how it can be used for paraphrase generation.

Best practices for high conflict conversations like counseling or customer support almost always include recommendations to paraphrase the previous speaker. Although paraphrase classification has received widespread attention in NLP, paraphrases are usually considered independent from context, and common models and datasets are not applicable to dialog settings. In this work, we investigate paraphrases in dialog (e.g., Speaker 1: "That book is mine." becomes Speaker 2: "That book is yours."). We provide an operationalization of context-dependent paraphrases, and develop a training for crowd-workers to classify paraphrases in dialog. We introduce a dataset with utterance pairs from NPR and CNN news interviews annotated for context-dependent paraphrases. To enable analyses on label variation, the dataset contains 5,581 annotations on 600 utterance pairs. We present promising results with in-context learning and with token classification models for automatic paraphrase detection in dialog.

There has recently been considerable interest in incorporating information retrieval into large language models (LLMs). Retrieval from a dynamically expanding external corpus of text allows a model to incorporate current events and can be viewed as a form of episodic memory. Here we demonstrate that pre-processing the external corpus into semi-structured ''atomic facts'' makes retrieval more efficient. More specifically, we demonstrate that our particular form of atomic facts improves performance on various question answering tasks when the amount of retrieved text is limited. Limiting the amount of retrieval reduces the size of the context and improves inference efficiency.

In today's rapidly expanding data landscape, knowledge extraction from unstructured text is vital for real-time analytics, temporal inference, and dynamic memory frameworks. However, traditional static knowledge graph (KG) construction often overlooks the dynamic and time-sensitive nature of real-world data, limiting adaptability to continuous changes. Moreover, recent zero- or few-shot approaches that avoid domain-specific fine-tuning or reliance on prebuilt ontologies often suffer from instability across multiple runs, as well as incomplete coverage of key facts. To address these challenges, we introduce ATOM (AdapTive and OptiMized), a few-shot and scalable approach that builds and continuously updates Temporal Knowledge Graphs (TKGs) from unstructured texts. ATOM splits input documents into minimal, self-contained "atomic" facts, improving extraction exhaustivity and stability. Then, it constructs atomic TKGs from these facts while employing a dual-time modeling that distinguishes when information is observed from when it is valid. The resulting atomic TKGs are subsequently merged in parallel. Empirical evaluations demonstrate that ATOM achieves ~18% higher exhaustivity, ~17% better stability, and over 90% latency reduction compared to baseline methods, demonstrating a strong scalability potential for dynamic TKG construction.

In this paper, we address the challenging task of multimodal mathematical reasoning by incorporating the ability of ``slow thinking" into multimodal large language models (MLLMs). Contrary to existing methods that rely on direct or fast thinking, our key idea is to construct long chains of thought (CoT) consisting of atomic actions in a step-by-step manner, guiding MLLMs to perform complex reasoning. To this end, we design a novel AtomThink framework composed of three key modules: (i) a CoT annotation engine that automatically generates high-quality CoT annotations to address the lack of high-quality visual mathematical data; (ii) an atomic step fine-tuning strategy that jointly optimizes an MLLM and a policy reward model (PRM) for step-wise reasoning; and (iii) four different search strategies that can be applied with the PRM to complete reasoning. Additionally, we propose AtomMATH, a large-scale multimodal dataset of long CoTs, and an atomic capability evaluation metric for mathematical tasks. Extensive experimental results show that the proposed AtomThink significantly improves the performance of baseline MLLMs, achieving approximately 50\% relative accuracy gains on MathVista and 120\% on MathVerse. To support the advancement of multimodal slow-thinking models, we will make our code and dataset publicly available on https://github.com/Quinn777/AtomThink.

Modern dialog managers face the challenge of having to fulfill human-level conversational skills as part of common user expectations, including but not limited to discourse with no clear objective. Along with these requirements, agents are expected to extrapolate intent from the user's dialogue even when subjected to non-canonical forms of speech. This depends on the agent's comprehension of paraphrased forms of such utterances. Especially in low-resource languages, the lack of data is a bottleneck that prevents advancements of the comprehension performance for these types of agents. In this regard, here we demonstrate the necessity of extracting the intent argument of non-canonical directives in a natural language format, which may yield more accurate parsing, and suggest guidelines for building a parallel corpus for this purpose. Following the guidelines, we construct a Korean corpus of 50K instances of question/command-intent pairs, including the labels for classification of the utterance type. We also propose a method for mitigating class imbalance, demonstrating the potential applications of the corpus generation method and its multilingual extensibility.

The rise of language models such as BERT allows for high-quality text paraphrasing. This is a problem to academic integrity, as it is difficult to differentiate between original and machine-generated content. We propose a benchmark consisting of paraphrased articles using recent language models relying on the Transformer architecture. Our contribution fosters future research of paraphrase detection systems as it offers a large collection of aligned original and paraphrased documents, a study regarding its structure, classification experiments with state-of-the-art systems, and we make our findings publicly available.

Employing paraphrasing tools to conceal plagiarized text is a severe threat to academic integrity. To enable the detection of machine-paraphrased text, we evaluate the effectiveness of five pre-trained word embedding models combined with machine-learning classifiers and eight state-of-the-art neural language models. We analyzed preprints of research papers, graduation theses, and Wikipedia articles, which we paraphrased using different configurations of the tools SpinBot and SpinnerChief. The best-performing technique, Longformer, achieved an average F1 score of 81.0% (F1=99.7% for SpinBot and F1=71.6% for SpinnerChief cases), while human evaluators achieved F1=78.4% for SpinBot and F1=65.6% for SpinnerChief cases. We show that the automated classification alleviates shortcomings of widely-used text-matching systems, such as Turnitin and PlagScan. To facilitate future research, all data, code, and two web applications showcasing our contributions are openly available at https://github.com/jpwahle/iconf22-paraphrase.

In this paper we revisit automatic metrics for paraphrase evaluation and obtain two findings that disobey conventional wisdom: (1) Reference-free metrics achieve better performance than their reference-based counterparts. (2) Most commonly used metrics do not align well with human annotation. Underlying reasons behind the above findings are explored through additional experiments and in-depth analyses. Based on the experiments and analyses, we propose ParaScore, a new evaluation metric for paraphrase generation. It possesses the merits of reference-based and reference-free metrics and explicitly models lexical divergence. Experimental results demonstrate that ParaScore significantly outperforms existing metrics.

In this work, we explore two classes of density dependent relativistic mean-field models, their predictions of proton fractions at high densities and neutron star structure. We have used a metamodelling approach to these relativistic density functionals. We have generated a large ensemble of models with these classes and then applied constraints from theoretical and experimental nuclear physics and astrophysical observations. We find that both models produce similar equations of state and neutron star mass-radius sequences. But, their underlying compositions, denoted by the proton fraction in this case, are vastly different. This reinstates previous findings that information on composition gets masqueraded in beta-equilibrium. Additional observations of non-equilibrium phenomena are necessary to pin it down.

In this work, we present BanglaParaphrase, a high-quality synthetic Bangla Paraphrase dataset curated by a novel filtering pipeline. We aim to take a step towards alleviating the low resource status of the Bangla language in the NLP domain through the introduction of BanglaParaphrase, which ensures quality by preserving both semantics and diversity, making it particularly useful to enhance other Bangla datasets. We show a detailed comparative analysis between our dataset and models trained on it with other existing works to establish the viability of our synthetic paraphrase data generation pipeline. We are making the dataset and models publicly available at https://github.com/csebuetnlp/banglaparaphrase to further the state of Bangla NLP.

Large Language Models (LLMs) have shown growing potential in molecular sciences, but they often produce chemically inaccurate descriptions and struggle to recognize or justify potential errors. This raises important concerns about their robustness and reliability in scientific applications. To support more rigorous evaluation of LLMs in chemical reasoning, we present the MolErr2Fix benchmark, designed to assess LLMs on error detection and correction in molecular descriptions. Unlike existing benchmarks focused on molecule-to-text generation or property prediction, MolErr2Fix emphasizes fine-grained chemical understanding. It tasks LLMs with identifying, localizing, explaining, and revising potential structural and semantic errors in molecular descriptions. Specifically, MolErr2Fix consists of 1,193 fine-grained annotated error instances. Each instance contains quadruple annotations, i.e,. (error type, span location, the explanation, and the correction). These tasks are intended to reflect the types of reasoning and verification required in real-world chemical communication. Evaluations of current state-of-the-art LLMs reveal notable performance gaps, underscoring the need for more robust chemical reasoning capabilities. MolErr2Fix provides a focused benchmark for evaluating such capabilities and aims to support progress toward more reliable and chemically informed language models. All annotations and an accompanying evaluation API will be publicly released to facilitate future research.

Large language models (LLMs) exhibit remarkable problem-solving abilities, but struggle with complex tasks due to static internal knowledge. Retrieval-Augmented Generation (RAG) enhances access to external information, yet remains limited in multi-hop reasoning and strategic search due to rigid workflows. Recent advancements in agentic deep research empower LLMs to autonomously reason, search, and synthesize information. However, current approaches relying on outcome-based reinforcement learning (RL) face critical issues such as conflicting gradients and reward sparsity, limiting performance gains and training efficiency. To address these, we first propose Atomic Thought, a novel LLM thinking paradigm that decomposes reasoning into fine-grained functional units. These units are supervised by Reasoning Reward Models (RRMs), which provide Atomic Thought Rewards (ATR) for fine-grained guidance. Building on this, we propose Atom-Searcher, a novel RL framework for agentic deep research that integrates Atomic Thought and ATR. Atom-Searcher uses a curriculum-inspired reward schedule, prioritizing process-level ATR early and transitioning to outcome rewards, accelerating convergence on effective reasoning paths. Experiments on seven benchmarks show consistent improvements over the state-of-the-art. Key advantages include: (1) Atom-Searcher scales computation at test-time. (2) Atomic Thought provides supervision anchors for RRMs, bridging deep research tasks and RRMs. (3) Atom-Searcher exhibits more interpretable, human-like reasoning patterns.

This paper presents ViSP, a high-quality Vietnamese dataset for sentence paraphrasing, consisting of 1.2M original-paraphrase pairs collected from various domains. The dataset was constructed using a hybrid approach that combines automatic paraphrase generation with manual evaluation to ensure high quality. We conducted experiments using methods such as back-translation, EDA, and baseline models like BART and T5, as well as large language models (LLMs), including GPT-4o, Gemini-1.5, Aya, Qwen-2.5, and Meta-Llama-3.1 variants. To the best of our knowledge, this is the first large-scale study on Vietnamese paraphrasing. We hope that our dataset and findings will serve as a valuable foundation for future research and applications in Vietnamese paraphrase tasks.

The rapid advancement of text-to-image generation systems, exemplified by models like Stable Diffusion, Midjourney, Imagen, and DALL-E, has heightened concerns about their potential misuse. In response, companies like Meta and Google have intensified their efforts to implement watermarking techniques on AI-generated images to curb the circulation of potentially misleading visuals. However, in this paper, we argue that current image watermarking methods are fragile and susceptible to being circumvented through visual paraphrase attacks. The proposed visual paraphraser operates in two steps. First, it generates a caption for the given image using KOSMOS-2, one of the latest state-of-the-art image captioning systems. Second, it passes both the original image and the generated caption to an image-to-image diffusion system. During the denoising step of the diffusion pipeline, the system generates a visually similar image that is guided by the text caption. The resulting image is a visual paraphrase and is free of any watermarks. Our empirical findings demonstrate that visual paraphrase attacks can effectively remove watermarks from images. This paper provides a critical assessment, empirically revealing the vulnerability of existing watermarking techniques to visual paraphrase attacks. While we do not propose solutions to this issue, this paper serves as a call to action for the scientific community to prioritize the development of more robust watermarking techniques. Our first-of-its-kind visual paraphrase dataset and accompanying code are publicly available.

Current evaluations of sentence embedding models typically rely on static test beds such as the Massive Text Embedding Benchmark (MTEB). While invaluable, repeated tuning on a fixed suite can inflate reported performance and obscure real-world robustness. We introduce the Paraphrasing Text Embedding Benchmark (PTEB), a dynamic protocol that stochastically generates meaning-preserving paraphrases at evaluation time and aggregates results across multiple runs. Using a cost-efficient LLM-based method grounded in semantic textual similarity gold ratings, we show that LLMs generate token-diverse but semantically preserving, paraphrases. Across 7 MTEB tasks, we validate our hypothesis that the performance of sentence encoders is sensitive to changes in token space even when semantics remain fixed. We also observe that smaller models are not disproportionately affected relative to larger ones. Our results are statistically robust over multiple runs and we extended our experiments to 3 multilingual datasets covering 10 languages. More generally, we aim to propose a new evaluation paradigm in NLP that relies less on static, pre-defined benchmarks but shifts towards dynamic, stochastic evaluation leveraging eval-time compute.

In this paper, we address the challenging task of multimodal mathematical reasoning by incorporating the ability of "slow thinking" into multimodal large language models (MLLMs). Our core idea is that different levels of reasoning abilities can be combined dynamically to tackle questions with different complexity. To this end, we propose a paradigm of Self-structured Chain of Thought (SCoT), which is composed of minimal semantic atomic steps. Different from existing methods that rely on structured templates or free-form paradigms, our method can not only generate cognitive CoT structures for various complex tasks but also mitigates the phenomenon of overthinking. To introduce structured reasoning capabilities into visual understanding models, we further design a novel AtomThink framework with four key modules, including (i) a data engine to generate high-quality multimodal reasoning paths; (ii) a supervised fine-tuning process with serialized inference data; (iii) a policy-guided multi-turn inference method; and (iv) an atomic capability metric to evaluate the single step utilization rate. We conduct extensive experiments to show that the proposed AtomThink significantly improves the performance of baseline MLLMs, achieving more than 10\% average accuracy gains on MathVista and MathVerse. Compared to state-of-the-art structured CoT approaches, our method not only achieves higher accuracy but also improves data utilization by 5 times and boosts inference efficiency by 85.3\%. Our code is now public available in https://github.com/Quinn777/AtomThink.

Large language models (LLMs) have shown impressive ability for open-domain NLP tasks. However, LLMs are sometimes too footloose for natural language understanding (NLU) tasks which always have restricted output and input format. Their performances on NLU tasks are highly related to prompts or demonstrations and are shown to be poor at performing several representative NLU tasks, such as event extraction and entity typing. To this end, we present SeqGPT, a bilingual (i.e., English and Chinese) open-source autoregressive model specially enhanced for open-domain natural language understanding. We express all NLU tasks with two atomic tasks, which define fixed instructions to restrict the input and output format but still ``open'' for arbitrarily varied label sets. The model is first instruction-tuned with extremely fine-grained labeled data synthesized by ChatGPT and then further fine-tuned by 233 different atomic tasks from 152 datasets across various domains. The experimental results show that SeqGPT has decent classification and extraction ability, and is capable of performing language understanding tasks on unseen domains. We also conduct empirical studies on the scaling of data and model size as well as on the transfer across tasks. Our model is accessible at https://github.com/Alibaba-NLP/SeqGPT.

In this work, we employ a semi-automatic method based on back translation to generate a sentential paraphrase corpus for the Armenian language. The initial collection of sentences is translated from Armenian to English and back twice, resulting in pairs of lexically distant but semantically similar sentences. The generated paraphrases are then manually reviewed and annotated. Using the method train and test datasets are created, containing 2360 paraphrases in total. In addition, the datasets are used to train and evaluate BERTbased models for detecting paraphrase in Armenian, achieving results comparable to the state-of-the-art of other languages.

Large Language Models (LLMs) achieve superior performance through training-time scaling, and test-time scaling further enhances their capabilities by conducting effective reasoning during inference. However, as the scale of reasoning increases, existing test-time scaling methods suffer from accumulated historical information, which not only wastes computational resources but also interferes with effective reasoning. To address this issue, we observe that complex reasoning progress is often achieved by solving a sequence of independent subquestions, each being self-contained and verifiable. These subquestions are essentially atomic questions, relying primarily on their current state rather than accumulated history, similar to the memoryless transitions in a Markov process. Based on this observation, we propose Atom of Thoughts (AoT), where each state transition in the reasoning process consists of decomposing the current question into a dependency-based directed acyclic graph and contracting its subquestions, forming a new atomic question state. This iterative decomposition-contraction process continues until reaching directly solvable atomic questions, naturally realizing Markov transitions between question states. Furthermore, these atomic questions can be seamlessly integrated into existing test-time scaling methods, enabling AoT to serve as a plug-in enhancement for improving reasoning capabilities. Experiments across six benchmarks demonstrate the effectiveness of AoT both as a standalone framework and a plug-in enhancement. Notably, on HotpotQA, when applied to gpt-4o-mini, AoT achieves an 80.6% F1 score, surpassing o3-mini by 3.4% and DeepSeek-R1 by 10.6%. The code will be available at https://github.com/qixucen/atom.

We provide conceptual and mathematical foundations for near-term quantum natural language processing (QNLP), and do so in quantum computer scientist friendly terms. We opted for an expository presentation style, and provide references for supporting empirical evidence and formal statements concerning mathematical generality. We recall how the quantum model for natural language that we employ canonically combines linguistic meanings with rich linguistic structure, most notably grammar. In particular, the fact that it takes a quantum-like model to combine meaning and structure, establishes QNLP as quantum-native, on par with simulation of quantum systems. Moreover, the now leading Noisy Intermediate-Scale Quantum (NISQ) paradigm for encoding classical data on quantum hardware, variational quantum circuits, makes NISQ exceptionally QNLP-friendly: linguistic structure can be encoded as a free lunch, in contrast to the apparently exponentially expensive classical encoding of grammar. Quantum speed-up for QNLP tasks has already been established in previous work with Will Zeng. Here we provide a broader range of tasks which all enjoy the same advantage. Diagrammatic reasoning is at the heart of QNLP. Firstly, the quantum model interprets language as quantum processes via the diagrammatic formalism of categorical quantum mechanics. Secondly, these diagrams are via ZX-calculus translated into quantum circuits. Parameterisations of meanings then become the circuit variables to be learned. Our encoding of linguistic structure within quantum circuits also embodies a novel approach for establishing word-meanings that goes beyond the current standards in mainstream AI, by placing linguistic structure at the heart of Wittgenstein's meaning-is-context.

Revision is a crucial step in scientific writing, where authors refine their work to improve clarity, structure, and academic quality. Existing approaches to automated writing assistance often focus on sentence-level revisions, which fail to capture the broader context needed for effective modification. In this paper, we explore the impact of shifting from sentence-level to paragraph-level scope for the task of scientific text revision. The paragraph level definition of the task allows for more meaningful changes, and is guided by detailed revision instructions rather than general ones. To support this task, we introduce ParaRev, the first dataset of revised scientific paragraphs with an evaluation subset manually annotated with revision instructions. Our experiments demonstrate that using detailed instructions significantly improves the quality of automated revisions compared to general approaches, no matter the model or the metric considered.

Recently, large language models such as GPT-2 have shown themselves to be extremely adept at text generation and have also been able to achieve high-quality results in many downstream NLP tasks such as text classification, sentiment analysis and question answering with the aid of fine-tuning. We present a useful technique for using a large language model to perform the task of paraphrasing on a variety of texts and subjects. Our approach is demonstrated to be capable of generating paraphrases not only at a sentence level but also for longer spans of text such as paragraphs without needing to break the text into smaller chunks.

Paraphrases are a vital tool to assist language understanding tasks such as question answering, style transfer, semantic parsing, and data augmentation tasks. Indic languages are complex in natural language processing (NLP) due to their rich morphological and syntactic variations, diverse scripts, and limited availability of annotated data. In this work, we present the L3Cube-MahaParaphrase Dataset, a high-quality paraphrase corpus for Marathi, a low resource Indic language, consisting of 8,000 sentence pairs, each annotated by human experts as either Paraphrase (P) or Non-paraphrase (NP). We also present the results of standard transformer-based BERT models on these datasets. The dataset and model are publicly shared at https://github.com/l3cube-pune/MarathiNLP

We introduce MorphNLI, a modular step-by-step approach to natural language inference (NLI). When classifying the premise-hypothesis pairs into {entailment, contradiction, neutral}, we use a language model to generate the necessary edits to incrementally transform (i.e., morph) the premise into the hypothesis. Then, using an off-the-shelf NLI model we track how the entailment progresses with these atomic changes, aggregating these intermediate labels into a final output. We demonstrate the advantages of our proposed method particularly in realistic cross-domain settings, where our method always outperforms strong baselines with improvements up to 12.6% (relative). Further, our proposed approach is explainable as the atomic edits can be used to understand the overall NLI label.

To detect the deployment of large language models for malicious use cases (e.g., fake content creation or academic plagiarism), several approaches have recently been proposed for identifying AI-generated text via watermarks or statistical irregularities. How robust are these detection algorithms to paraphrases of AI-generated text? To stress test these detectors, we first train an 11B parameter paraphrase generation model (DIPPER) that can paraphrase paragraphs, optionally leveraging surrounding text (e.g., user-written prompts) as context. DIPPER also uses scalar knobs to control the amount of lexical diversity and reordering in the paraphrases. Paraphrasing text generated by three large language models (including GPT3.5-davinci-003) with DIPPER successfully evades several detectors, including watermarking, GPTZero, DetectGPT, and OpenAI's text classifier. For example, DIPPER drops the detection accuracy of DetectGPT from 70.3% to 4.6% (at a constant false positive rate of 1%), without appreciably modifying the input semantics. To increase the robustness of AI-generated text detection to paraphrase attacks, we introduce a simple defense that relies on retrieving semantically-similar generations and must be maintained by a language model API provider. Given a candidate text, our algorithm searches a database of sequences previously generated by the API, looking for sequences that match the candidate text within a certain threshold. We empirically verify our defense using a database of 15M generations from a fine-tuned T5-XXL model and find that it can detect 80% to 97% of paraphrased generations across different settings, while only classifying 1% of human-written sequences as AI-generated. We will open source our code, model and data for future research.

Complex chemical structures, like drugs, are usually defined by SMILES strings as a sequence of molecules and bonds. These SMILES strings are used in different complex machine learning-based drug-related research and representation works. Escaping from complex representation, in this work, we pose a single question: What if we treat drug SMILES as conventional sentences and engage in text classification for drug classification? Our experiments affirm the possibility with very competitive scores. The study explores the notion of viewing each atom and bond as sentence components, employing basic NLP methods to categorize drug types, proving that complex problems can also be solved with simpler perspectives. The data and code are available here: https://github.com/azminewasi/Drug-Classification-NLP.

We combine beam search with the probabilistic pruning technique of nucleus sampling to create two deterministic nucleus search algorithms for natural language generation. The first algorithm, p-exact search, locally prunes the next-token distribution and performs an exact search over the remaining space. The second algorithm, dynamic beam search, shrinks and expands the beam size according to the entropy of the candidate's probability distribution. Despite the probabilistic intuition behind nucleus search, experiments on machine translation and summarization benchmarks show that both algorithms reach the same performance levels as standard beam search.

Identifying factors that make ad text attractive is essential for advertising success. This study proposes AdParaphrase v2.0, a dataset for ad text paraphrasing, containing human preference data, to enable the analysis of the linguistic factors and to support the development of methods for generating attractive ad texts. Compared with v1.0, this dataset is 20 times larger, comprising 16,460 ad text paraphrase pairs, each annotated with preference data from ten evaluators, thereby enabling a more comprehensive and reliable analysis. Through the experiments, we identified multiple linguistic features of engaging ad texts that were not observed in v1.0 and explored various methods for generating attractive ad texts. Furthermore, our analysis demonstrated the relationships between human preference and ad performance, and highlighted the potential of reference-free metrics based on large language models for evaluating ad text attractiveness. The dataset is publicly available at: https://github.com/CyberAgentAILab/AdParaphrase-v2.0.

This article presents a review about the main CERN n\_TOF contributions to the field of neutron-capture experiments of interest for s-process nucleosynthesis studies over the last 25 years, with special focus on the measurement of radioactive isotopes. A few recent capture experiments on stable isotopes of astrophysical interest are also discussed. Results on s-process branching nuclei are appropriate to illustrate how advances in detection systems and upgrades in the facility have enabled increasingly challenging experiments and, as a consequence, have led to a better understanding and modeling of the s-process mechanism of nucleosynthesis. New endeavors combining radioactive-ion beams from ISOLDE for the production of radioisotopically pure samples for activation experiments at the new NEAR facility at n\_TOF are briefly discussed. On the basis of these new exciting results, also current limitations of state-of-the-art TOF and activation techniques will be depicted, thereby showing the pressing need for further upgrades and enhancements on both facilities and detection systems. A brief account of the potential technique based on inverse kinematics for direct neutron-capture measurements is also presented.

The fundamental units of internal representations in large language models (LLMs) remain undefined, limiting further understanding of their mechanisms. Neurons or features are often regarded as such units, yet neurons suffer from polysemy, while features face concerns of unreliable reconstruction and instability. To address this issue, we propose the Atoms Theory, which defines such units as atoms. We introduce the atomic inner product (AIP) to correct representation shifting, formally define atoms, and prove the conditions that atoms satisfy the Restricted Isometry Property (RIP), ensuring stable sparse representations over atom set and linking to compressed sensing. Under stronger conditions, we further establish the uniqueness and exact ell_1 recoverability of the sparse representations, and provide guarantees that single-layer sparse autoencoders (SAEs) with threshold activations can reliably identify the atoms. To validate the Atoms Theory, we train threshold-activated SAEs on Gemma2-2B, Gemma2-9B, and Llama3.1-8B, achieving 99.9% sparse reconstruction across layers on average, and more than 99.8% of atoms satisfy the uniqueness condition, compared to 0.5% for neurons and 68.2% for features, showing that atoms more faithfully capture intrinsic representations of LLMs. Scaling experiments further reveal the link between SAEs size and recovery capacity. Overall, this work systematically introduces and validates Atoms Theory of LLMs, providing a theoretical framework for understanding internal representations and a foundation for mechanistic interpretability. Code available at https://github.com/ChenhuiHu/towards_atoms.

A report by the European Union Law Enforcement Agency predicts that by 2026, up to 90 percent of online content could be synthetically generated, raising concerns among policymakers, who cautioned that "Generative AI could act as a force multiplier for political disinformation. The combined effect of generative text, images, videos, and audio may surpass the influence of any single modality." In response, California's Bill AB 3211 mandates the watermarking of AI-generated images, videos, and audio. However, concerns remain regarding the vulnerability of invisible watermarking techniques to tampering and the potential for malicious actors to bypass them entirely. Generative AI-powered de-watermarking attacks, especially the newly introduced visual paraphrase attack, have shown an ability to fully remove watermarks, resulting in a paraphrase of the original image. This paper introduces PECCAVI, the first visual paraphrase attack-safe and distortion-free image watermarking technique. In visual paraphrase attacks, an image is altered while preserving its core semantic regions, termed Non-Melting Points (NMPs). PECCAVI strategically embeds watermarks within these NMPs and employs multi-channel frequency domain watermarking. It also incorporates noisy burnishing to counter reverse-engineering efforts aimed at locating NMPs to disrupt the embedded watermark, thereby enhancing durability. PECCAVI is model-agnostic. All relevant resources and codes will be open-sourced.

We introduce sub-sentence encoder, a contrastively-learned contextual embedding model for fine-grained semantic representation of text. In contrast to the standard practice with sentence embeddings, where the meaning of an entire sequence of text is encoded into a fixed-length vector, the sub-sentence encoder learns to produce distinct contextual embeddings corresponding to different atomic propositions, i.e. atomic units of meaning expressed within a text sequence. The sub-sentence embeddings are contrastively learned to recognize (inferred) semantic equivalence between propositions across different text sequences. Our experiments show the effectiveness of sub-sentence encoders in applications, such as retrieving supporting facts for fine-grained text attribution or recognizing the conditional semantic similarity between texts. In practice, we demonstrate that sub-sentence encoders keep the same level of inference cost and space complexity compared to sentence encoders.

The growing prominence of large language models, such as GPT-4 and ChatGPT, has led to increased concerns over academic integrity due to the potential for machine-generated content and paraphrasing. Although studies have explored the detection of human- and machine-paraphrased content, the comparison between these types of content remains underexplored. In this paper, we conduct a comprehensive analysis of various datasets commonly employed for paraphrase detection tasks and evaluate an array of detection methods. Our findings highlight the strengths and limitations of different detection methods in terms of performance on individual datasets, revealing a lack of suitable machine-generated datasets that can be aligned with human expectations. Our main finding is that human-authored paraphrases exceed machine-generated ones in terms of difficulty, diversity, and similarity implying that automatically generated texts are not yet on par with human-level performance. Transformers emerged as the most effective method across datasets with TF-IDF excelling on semantically diverse corpora. Additionally, we identify four datasets as the most diverse and challenging for paraphrase detection.

We present lambeq, the first high-level Python library for Quantum Natural Language Processing (QNLP). The open-source toolkit offers a detailed hierarchy of modules and classes implementing all stages of a pipeline for converting sentences to string diagrams, tensor networks, and quantum circuits ready to be used on a quantum computer. lambeq supports syntactic parsing, rewriting and simplification of string diagrams, ansatz creation and manipulation, as well as a number of compositional models for preparing quantum-friendly representations of sentences, employing various degrees of syntax sensitivity. We present the generic architecture and describe the most important modules in detail, demonstrating the usage with illustrative examples. Further, we test the toolkit in practice by using it to perform a number of experiments on simple NLP tasks, implementing both classical and quantum pipelines.

HeH^+ was the first heteronuclear molecule to form in the metal-free Universe after the Big Bang. The molecule gained significant attention following its first circumstellar detection in the young and dense planetary nebula NGC 7027. We target some hydride ions associated with the noble gases (HeH^+, ArH^+, and NeH^+) to investigate their formation in harsh environments like the nova outburst region. We use a photoionization modeling (based on previously published best-fit physical parameters) of the moderately fast ONe type nova, QU Vulpeculae 1984, and the CO type novae, RS Ophiuchi and V1716 Scorpii. Our steady-state modeling reveals a convincing amount of HeH^+, especially in the dense clump of RS Ophiuchi and V1716 Scorpii. The calculated upper limit on the surface brightness of HeH^+ transitions suggests that the James Webb Space Telescope (JWST) could detect some of them, particularly in sources like RS Ophiuchi and V1716 Scorpii, which have similar physical and chemical conditions and evolution. It must be clearly noted that the sources studied are used as templates, and not as targets for observations. The detection of these lines could be useful for determining the physical conditions in similar types of systems and for validating our predictions based on new electron-impact ro-vibrational collisional data at temperatures of up to 20,000 K.

Large Language Models (LLMs) are increasingly deployed in enterprise applications, yet their reliability remains limited by hallucinations, i.e., confident but factually incorrect information. Existing detection approaches, such as SelfCheckGPT and MetaQA, primarily target standalone LLMs and do not address the unique challenges of Retrieval-Augmented Generation (RAG) systems, where responses must be consistent with retrieved evidence. We therefore present MetaRAG, a metamorphic testing framework for hallucination detection in Retrieval-Augmented Generation (RAG) systems. MetaRAG operates in a real-time, unsupervised, black-box setting, requiring neither ground-truth references nor access to model internals, making it suitable for proprietary and high-stakes domains. The framework proceeds in four stages: (1) decompose answers into atomic factoids, (2) generate controlled mutations of each factoid using synonym and antonym substitutions, (3) verify each variant against the retrieved context (synonyms are expected to be entailed and antonyms contradicted), and (4) aggregate penalties for inconsistencies into a response-level hallucination score. Crucially for identity-aware AI, MetaRAG localizes unsupported claims at the factoid span where they occur (e.g., pregnancy-specific precautions, LGBTQ+ refugee rights, or labor eligibility), allowing users to see flagged spans and enabling system designers to configure thresholds and guardrails for identity-sensitive queries. Experiments on a proprietary enterprise dataset illustrate the effectiveness of MetaRAG for detecting hallucinations and enabling trustworthy deployment of RAG-based conversational agents. We also outline a topic-based deployment design that translates MetaRAG's span-level scores into identity-aware safeguards; this design is discussed but not evaluated in our experiments.

The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and biology. This approach leverages the rich, multifaceted descriptions of biomolecules contained within textual data sources to enhance our fundamental understanding and enable downstream computational tasks such as biomolecule property prediction. The fusion of the nuanced narratives expressed through natural language with the structural and functional specifics of biomolecules described via various molecular modeling techniques opens new avenues for comprehensively representing and analyzing biomolecules. By incorporating the contextual language data that surrounds biomolecules into their modeling, BL aims to capture a holistic view encompassing both the symbolic qualities conveyed through language as well as quantitative structural characteristics. In this review, we provide an extensive analysis of recent advancements achieved through cross modeling of biomolecules and natural language. (1) We begin by outlining the technical representations of biomolecules employed, including sequences, 2D graphs, and 3D structures. (2) We then examine in depth the rationale and key objectives underlying effective multi-modal integration of language and molecular data sources. (3) We subsequently survey the practical applications enabled to date in this developing research area. (4) We also compile and summarize the available resources and datasets to facilitate future work. (5) Looking ahead, we identify several promising research directions worthy of further exploration and investment to continue advancing the field. The related resources and contents are updating in https://github.com/QizhiPei/Awesome-Biomolecule-Language-Cross-Modeling.

Contrastive language-image pre-training (CLIP) models have demonstrated considerable success across various vision-language tasks, such as text-to-image retrieval, where the model is required to effectively process natural language input to produce an accurate visual output. However, current models still face limitations in dealing with linguistic variations in input queries, such as paraphrases, making it challenging to handle a broad range of user queries in real-world applications. In this study, we introduce a straightforward fine-tuning approach to enhance the representations of CLIP models for paraphrases. Our approach involves a two-step paraphrase generation process, where we automatically create two categories of paraphrases from web-scale image captions by leveraging large language models. Subsequently, we fine-tune the CLIP text encoder using these generated paraphrases while freezing the image encoder. Our resulting model, which we call ParaCLIP, exhibits significant improvements over baseline CLIP models across various tasks, including paraphrased retrieval (with rank similarity scores improved by up to 2.0% and 5.6%), Visual Genome Relation and Attribution, as well as seven semantic textual similarity tasks.

We propose AutoQA, a methodology and toolkit to generate semantic parsers that answer questions on databases, with no manual effort. Given a database schema and its data, AutoQA automatically generates a large set of high-quality questions for training that covers different database operations. It uses automatic paraphrasing combined with template-based parsing to find alternative expressions of an attribute in different parts of speech. It also uses a novel filtered auto-paraphraser to generate correct paraphrases of entire sentences. We apply AutoQA to the Schema2QA dataset and obtain an average logical form accuracy of 62.9% when tested on natural questions, which is only 6.4% lower than a model trained with expert natural language annotations and paraphrase data collected from crowdworkers. To demonstrate the generality of AutoQA, we also apply it to the Overnight dataset. AutoQA achieves 69.8% answer accuracy, 16.4% higher than the state-of-the-art zero-shot models and only 5.2% lower than the same model trained with human data.

We propose a generative model of paraphrase generation, that encourages syntactic diversity by conditioning on an explicit syntactic sketch. We introduce Hierarchical Refinement Quantized Variational Autoencoders (HRQ-VAE), a method for learning decompositions of dense encodings as a sequence of discrete latent variables that make iterative refinements of increasing granularity. This hierarchy of codes is learned through end-to-end training, and represents fine-to-coarse grained information about the input. We use HRQ-VAE to encode the syntactic form of an input sentence as a path through the hierarchy, allowing us to more easily predict syntactic sketches at test time. Extensive experiments, including a human evaluation, confirm that HRQ-VAE learns a hierarchical representation of the input space, and generates paraphrases of higher quality than previous systems.

The existing search tools for exploring the NASA Astrophysics Data System (ADS) can be quite rich and empowering (e.g., similar and trending operators), but researchers are not yet allowed to fully leverage semantic search. For example, a query for "results from the Planck mission" should be able to distinguish between all the various meanings of Planck (person, mission, constant, institutions and more) without further clarification from the user. At ADS, we are applying modern machine learning and natural language processing techniques to our dataset of recent astronomy publications to train astroBERT, a deeply contextual language model based on research at Google. Using astroBERT, we aim to enrich the ADS dataset and improve its discoverability, and in particular we are developing our own named entity recognition tool. We present here our preliminary results and lessons learned.

Large language models are playing an increasingly significant role in molecular research, yet existing models often generate erroneous information, posing challenges to accurate molecular comprehension. Traditional evaluation metrics for generated content fail to assess a model's accuracy in molecular understanding. To rectify the absence of factual evaluation, we present MoleculeQA, a novel question answering (QA) dataset which possesses 62K QA pairs over 23K molecules. Each QA pair, composed of a manual question, a positive option and three negative options, has consistent semantics with a molecular description from authoritative molecular corpus. MoleculeQA is not only the first benchmark for molecular factual bias evaluation but also the largest QA dataset for molecular research. A comprehensive evaluation on MoleculeQA for existing molecular LLMs exposes their deficiencies in specific areas and pinpoints several particularly crucial factors for molecular understanding.

The ability to paraphrase texts across different complexity levels is essential for creating accessible texts that can be tailored toward diverse reader groups. Thus, we introduce German4All, the first large-scale German dataset of aligned readability-controlled, paragraph-level paraphrases. It spans five readability levels and comprises over 25,000 samples. The dataset is automatically synthesized using GPT-4 and rigorously evaluated through both human and LLM-based judgments. Using German4All, we train an open-source, readability-controlled paraphrasing model that achieves state-of-the-art performance in German text simplification, enabling more nuanced and reader-specific adaptations. We opensource both the dataset and the model to encourage further research on multi-level paraphrasing

Phrase representations derived from BERT often do not exhibit complex phrasal compositionality, as the model relies instead on lexical similarity to determine semantic relatedness. In this paper, we propose a contrastive fine-tuning objective that enables BERT to produce more powerful phrase embeddings. Our approach (Phrase-BERT) relies on a dataset of diverse phrasal paraphrases, which is automatically generated using a paraphrase generation model, as well as a large-scale dataset of phrases in context mined from the Books3 corpus. Phrase-BERT outperforms baselines across a variety of phrase-level similarity tasks, while also demonstrating increased lexical diversity between nearest neighbors in the vector space. Finally, as a case study, we show that Phrase-BERT embeddings can be easily integrated with a simple autoencoder to build a phrase-based neural topic model that interprets topics as mixtures of words and phrases by performing a nearest neighbor search in the embedding space. Crowdsourced evaluations demonstrate that this phrase-based topic model produces more coherent and meaningful topics than baseline word and phrase-level topic models, further validating the utility of Phrase-BERT.

We propose a method for generating paraphrases of English questions that retain the original intent but use a different surface form. Our model combines a careful choice of training objective with a principled information bottleneck, to induce a latent encoding space that disentangles meaning and form. We train an encoder-decoder model to reconstruct a question from a paraphrase with the same meaning and an exemplar with the same surface form, leading to separated encoding spaces. We use a Vector-Quantized Variational Autoencoder to represent the surface form as a set of discrete latent variables, allowing us to use a classifier to select a different surface form at test time. Crucially, our method does not require access to an external source of target exemplars. Extensive experiments and a human evaluation show that we are able to generate paraphrases with a better tradeoff between semantic preservation and syntactic novelty compared to previous methods.

Effective linguistic choices that attract potential customers play crucial roles in advertising success. This study aims to explore the linguistic features of ad texts that influence human preferences. Although the creation of attractive ad texts is an active area of research, progress in understanding the specific linguistic features that affect attractiveness is hindered by several obstacles. First, human preferences are complex and influenced by multiple factors, including their content, such as brand names, and their linguistic styles, making analysis challenging. Second, publicly available ad text datasets that include human preferences are lacking, such as ad performance metrics and human feedback, which reflect people's interests. To address these problems, we present AdParaphrase, a paraphrase dataset that contains human preferences for pairs of ad texts that are semantically equivalent but differ in terms of wording and style. This dataset allows for preference analysis that focuses on the differences in linguistic features. Our analysis revealed that ad texts preferred by human judges have higher fluency, longer length, more nouns, and use of bracket symbols. Furthermore, we demonstrate that an ad text-generation model that considers these findings significantly improves the attractiveness of a given text. The dataset is publicly available at: https://github.com/CyberAgentAILab/AdParaphrase.

Paraphrase generation has benefited extensively from recent progress in the designing of training objectives and model architectures. However, previous explorations have largely focused on supervised methods, which require a large amount of labeled data that is costly to collect. To address this drawback, we adopt a transfer learning approach and propose a training pipeline that enables pre-trained language models to generate high-quality paraphrases in an unsupervised setting. Our recipe consists of task-adaptation, self-supervision, and a novel decoding algorithm named Dynamic Blocking (DB). To enforce a surface form dissimilar from the input, whenever the language model emits a token contained in the source sequence, DB prevents the model from outputting the subsequent source token for the next generation step. We show with automatic and human evaluations that our approach achieves state-of-the-art performance on both the Quora Question Pair (QQP) and the ParaNMT datasets and is robust to domain shift between the two datasets of distinct distributions. We also demonstrate that our model transfers to paraphrasing in other languages without any additional finetuning.

Astrochemical models of interstellar clouds, the sites of stars, and planet formation require information about spin-state chemistry to allow quantitative comparison with spectroscopic observations. In particular, it is important to know if full scrambling or H abstraction (also known as proton hopping) takes place in ion-neutral reactions. The reaction of Cl+ and HCl+ with H2 and isotopologues has been studied at cryogenic temperatures between 20 and 180 K using a 22 pole radio frequency ion trap. Isotopic exchange processes are used to probe the reaction mechanism of the HCl+ + H2 reaction. The results are compared with previous measurements and theoretical predictions. The rate coefficients for the Cl+ + H2 and HCl+ + H2 reactions are found to be constant in the range of temperatures studied, except for the DCl+ + D2 reaction, where a weak negative temperature dependence is observed, and reactions with D2 are found to be significantly slower than the Langevin rate. No isotopic exchange reactions are observed to occur for the H2Cl+ ion. The analysis of the products of the HCl+ + H2 isotopic system clearly indicates that the reaction proceeds via simple hydrogen atom abstraction.

Retrieval-augmented generation (RAG) is critical for reducing hallucinations and incorporating external knowledge into Large Language Models (LLMs). However, advanced RAG systems face a trade-off between performance and efficiency. Multi-round RAG approaches achieve strong reasoning but incur excessive LLM calls and token costs, while Graph RAG methods suffer from computationally expensive, error-prone graph construction and retrieval redundancy. To address these challenges, we propose T^2RAG, a novel framework that operates on a simple, graph-free knowledge base of atomic triplets. T^2RAG leverages an LLM to decompose questions into searchable triplets with placeholders, which it then iteratively resolves by retrieving evidence from the triplet database. Empirical results show that T^2RAG significantly outperforms state-of-the-art multi-round and Graph RAG methods, achieving an average performance gain of up to 11\% across six datasets while reducing retrieval costs by up to 45\%. Our code is available at https://github.com/rockcor/T2RAG

Pre-trained Language Models (PLMs) can be accurately fine-tuned for downstream text processing tasks. Recently, researchers have introduced several parameter-efficient fine-tuning methods that optimize input prompts or adjust a small number of model parameters (e.g LoRA). In this study, we explore the impact of altering the input text of the original task in conjunction with parameter-efficient fine-tuning methods. To most effectively rewrite the input text, we train a few-shot paraphrase model with a Maximum-Marginal Likelihood objective. Using six few-shot text classification datasets, we show that enriching data with paraphrases at train and test time enhances the performance beyond what can be achieved with parameter-efficient fine-tuning alone.

Sentence embedding models play a key role in various Natural Language Processing tasks, such as in Topic Modeling, Document Clustering and Recommendation Systems. However, these models rely heavily on parallel data, which can be scarce for many low-resource languages, including Luxembourgish. This scarcity results in suboptimal performance of monolingual and cross-lingual sentence embedding models for these languages. To address this issue, we compile a relatively small but high-quality human-generated cross-lingual parallel dataset to train \tool, an enhanced sentence embedding model for Luxembourgish with strong cross-lingual capabilities. Additionally, we present evidence suggesting that including low-resource languages in parallel training datasets can be more advantageous for other low-resource languages than relying solely on high-resource language pairs. Furthermore, recognizing the lack of sentence embedding benchmarks for low-resource languages, we create a paraphrase detection benchmark specifically for Luxembourgish, aiming to partially fill this gap and promote further research.

The sequential process of conceptualization and instantiation is essential to generalizable commonsense reasoning as it allows the application of existing knowledge to unfamiliar scenarios. However, existing works tend to undervalue the step of instantiation and heavily rely on pre-built concept taxonomies and human annotations to collect both types of knowledge, resulting in a lack of instantiated knowledge to complete reasoning, high cost, and limited scalability. To tackle these challenges, we introduce CANDLE, a distillation framework that iteratively performs contextualized conceptualization and instantiation over commonsense knowledge bases by instructing large language models to generate both types of knowledge with critic filtering. By applying CANDLE to ATOMIC, we construct a comprehensive knowledge base comprising six million conceptualizations and instantiated commonsense knowledge triples. Both types of knowledge are firmly rooted in the original ATOMIC dataset, and intrinsic evaluations demonstrate their exceptional quality and diversity. Empirical results indicate that distilling CANDLE on student models provides benefits across four downstream tasks. Our code, data, and models are publicly available at https://github.com/HKUST-KnowComp/CANDLE.

This paper describes a linguistically-motivated approach to the 2024 edition of the BabyLM Challenge (Warstadt et al. 2023). Rather than pursuing a first language learning (L1) paradigm, we approach the challenge from a second language (L2) learning perspective. In L2 learning, there is a stronger focus on learning explicit linguistic information, such as grammatical notions, definitions of words or different ways of expressing a meaning. This makes L2 learning potentially more efficient and concise. We approximate this using data from Wiktionary, grammar examples either generated by an LLM or sourced from grammar books, and paraphrase data. We find that explicit information about word meaning (in our case, Wiktionary) does not boost model performance, while grammatical information can give a small improvement. The most impactful data ingredient is sentence paraphrases, with our two best models being trained on 1) a mix of paraphrase data and data from the BabyLM pretraining dataset, and 2) exclusively paraphrase data.

Large language models (LLMs) have made impressive progress in chemistry applications, including molecular property prediction, molecular generation, experimental protocol design, etc. However, the community lacks a dialogue-based model specifically designed for chemistry. The challenge arises from the fact that most chemical data and scientific knowledge are primarily stored in structured databases, and the direct use of these structured data compromises the model's ability to maintain coherent dialogue. To tackle this issue, we develop a novel template-based instruction construction method that transforms structured knowledge into plain dialogue, making it suitable for language model training. By leveraging this approach, we develop ChemLLM, the first large language model dedicated to chemistry, capable of performing various tasks across chemical disciplines with smooth dialogue interaction. ChemLLM beats GPT-3.5 on all three principal tasks in chemistry, i.e., name conversion, molecular caption, and reaction prediction, and surpasses GPT-4 on two of them. Remarkably, ChemLLM also shows exceptional adaptability to related mathematical and physical tasks despite being trained mainly on chemical-centric corpora. Furthermore, ChemLLM demonstrates proficiency in specialized NLP tasks within chemistry, such as literature translation and cheminformatic programming. ChemLLM opens up a new avenue for exploration within chemical studies, while our method of integrating structured chemical knowledge into dialogue systems sets a new frontier for developing LLMs across various scientific fields. Codes, Datasets, and Model weights are publicly accessible at hf.co/AI4Chem/ChemLLM-7B-Chat.

We present Spacerini, a modular framework for seamless building and deployment of interactive search applications, designed to facilitate the qualitative analysis of large scale research datasets. Spacerini integrates features from both the Pyserini toolkit and the Hugging Face ecosystem to ease the indexing text collections and deploy them as search engines for ad-hoc exploration and to make the retrieval of relevant data points quick and efficient. The user-friendly interface enables searching through massive datasets in a no-code fashion, making Spacerini broadly accessible to anyone looking to qualitatively audit their text collections. This is useful both to IR~researchers aiming to demonstrate the capabilities of their indexes in a simple and interactive way, and to NLP~researchers looking to better understand and audit the failure modes of large language models. The framework is open source and available on GitHub: https://github.com/castorini/hf-spacerini, and includes utilities to load, pre-process, index, and deploy local and web search applications. A portfolio of applications created with Spacerini for a multitude of use cases can be found by visiting https://hf.co/spacerini.

With the rise of software-as-a-service and microservice architectures, RESTful APIs are now ubiquitous in mobile and web applications. A service can have tens or hundreds of API methods, making it a challenge for programmers to find the right combination of methods to solve their task. We present APIphany, a component-based synthesizer for programs that compose calls to RESTful APIs. The main innovation behind APIphany is the use of precise semantic types, both to specify user intent and to direct the search. APIphany contributes three novel mechanisms to overcome challenges in adapting component-based synthesis to the REST domain: (1) a type inference algorithm for augmenting REST specifications with semantic types; (2) an efficient synthesis technique for "wrangling" semi-structured data, which is commonly required in working with RESTful APIs; and (3) a new form of simulated execution to avoid executing APIs calls during synthesis. We evaluate APIphany on three real-world APIs and 32 tasks extracted from GitHub repositories and StackOverflow. In our experiments, APIphany found correct solutions to 29 tasks, with 23 of them reported among top ten synthesis results.

We show that protein sequences can be thought of as sentences in natural language processing and can be parsed using the existing Quantum Natural Language framework into parameterized quantum circuits of reasonable qubits, which can be trained to solve various protein-related machine-learning problems. We classify proteins based on their subcellular locations, a pivotal task in bioinformatics that is key to understanding biological processes and disease mechanisms. Leveraging the quantum-enhanced processing capabilities, we demonstrate that Quantum Tensor Networks (QTN) can effectively handle the complexity and diversity of protein sequences. We present a detailed methodology that adapts QTN architectures to the nuanced requirements of protein data, supported by comprehensive experimental results. We demonstrate two distinct QTNs, inspired by classical recurrent neural networks (RNN) and convolutional neural networks (CNN), to solve the binary classification task mentioned above. Our top-performing quantum model has achieved a 94% accuracy rate, which is comparable to the performance of a classical model that uses the ESM2 protein language model embeddings. It's noteworthy that the ESM2 model is extremely large, containing 8 million parameters in its smallest configuration, whereas our best quantum model requires only around 800 parameters. We demonstrate that these hybrid models exhibit promising performance, showcasing their potential to compete with classical models of similar complexity.

Recent advancements in large language models (LLMs) have led to significant improvements in various natural language processing tasks, but it is still challenging for LLMs to perform knowledge-intensive complex question answering due to LLMs' inefficacy in reasoning planning and the hallucination problem. A typical solution is to employ retrieval-augmented generation (RAG) coupled with chain-of-thought (CoT) reasoning, which decomposes complex questions into chain-like sub-questions and applies iterative RAG at each sub-question. However, prior works exhibit sub-optimal reasoning planning and overlook dynamic knowledge retrieval from heterogeneous sources. In this paper, we propose AtomR, a novel heterogeneous knowledge reasoning framework that conducts multi-source reasoning at the atomic level. Drawing inspiration from the graph modeling of knowledge, AtomR leverages large language models (LLMs) to decompose complex questions into combinations of three atomic knowledge operators, significantly enhancing the reasoning process at both the planning and execution stages. We also introduce BlendQA, a novel evaluation benchmark tailored to assess complex heterogeneous knowledge reasoning. Experiments show that AtomR significantly outperforms state-of-the-art baselines across three single-source and two multi-source reasoning benchmarks, with notable performance gains of 9.4% on 2WikiMultihop and 9.5% on BlendQA.

The coldest Y spectral type brown dwarfs are similar in mass and temperature to cool and warm (sim200 -- 400 K) giant exoplanets. We can therefore use their atmospheres as proxies for planetary atmospheres, testing our understanding of physics and chemistry for these complex, cool worlds. At these cold temperatures, their atmospheres are cold enough for water clouds to form, and chemical timescales increase, increasing the likelihood of disequilibrium chemistry compared to warmer classes of planets. JWST observations are revolutionizing the characterization of these worlds with high signal-to-noise, moderate resolution near- and mid-infrared spectra. The spectra have been used to measure the abundances of prominent species like water, methane, and ammonia; species that trace chemical reactions like carbon monoxide; and even isotopologues of carbon monoxide and ammonia. Here, we present atmospheric retrieval results using both published fixed-slit (GTO program 1230) and new averaged time series observations (GO program 2327) of the coldest known Y dwarf, WISE 0855-0714 (using NIRSpec G395M spectra), which has an effective temperature of sim 264 K. We present a detection of deuterium in an atmosphere outside of the solar system via a relative measurement of deuterated methane (CH_{3}D) and standard methane. From this, we infer the D/H ratio of a substellar object outside the solar system for the first time. We also present a well-constrained part-per-billion abundance of phosphine (PH_{3}). We discuss our interpretation of these results and the implications for brown dwarf and giant exoplanet formation and evolution.

Text-based foundation models have become an important part of scientific discovery, with molecular foundation models accelerating advancements in material science and molecular design.However, existing models are constrained by closed-vocabulary tokenizers that capture only a fraction of molecular space. In this work, we systematically evaluate 34 tokenizers, including 19 chemistry-specific ones, and reveal significant gaps in their coverage of the SMILES molecular representation. To assess the impact of tokenizer choice, we introduce n-gram language models as a low-cost proxy and validate their effectiveness by pretraining and finetuning 18 RoBERTa-style encoders for molecular property prediction. To overcome the limitations of existing tokenizers, we propose two new tokenizers -- Smirk and Smirk-GPE -- with full coverage of the OpenSMILES specification. The proposed tokenizers systematically integrate nuclear, electronic, and geometric degrees of freedom; facilitating applications in pharmacology, agriculture, biology, and energy storage. Our results highlight the need for open-vocabulary modeling and chemically diverse benchmarks in cheminformatics.

We present two novel unsupervised methods for eliminating toxicity in text. Our first method combines two recent ideas: (1) guidance of the generation process with small style-conditional language models and (2) use of paraphrasing models to perform style transfer. We use a well-performing paraphraser guided by style-trained language models to keep the text content and remove toxicity. Our second method uses BERT to replace toxic words with their non-offensive synonyms. We make the method more flexible by enabling BERT to replace mask tokens with a variable number of words. Finally, we present the first large-scale comparative study of style transfer models on the task of toxicity removal. We compare our models with a number of methods for style transfer. The models are evaluated in a reference-free way using a combination of unsupervised style transfer metrics. Both methods we suggest yield new SOTA results.

Entities are at the center of how we represent and aggregate knowledge. For instance, Encyclopedias such as Wikipedia are structured by entities (e.g., one per Wikipedia article). The ability to retrieve such entities given a query is fundamental for knowledge-intensive tasks such as entity linking and open-domain question answering. Current approaches can be understood as classifiers among atomic labels, one for each entity. Their weight vectors are dense entity representations produced by encoding entity meta information such as their descriptions. This approach has several shortcomings: (i) context and entity affinity is mainly captured through a vector dot product, potentially missing fine-grained interactions; (ii) a large memory footprint is needed to store dense representations when considering large entity sets; (iii) an appropriately hard set of negative data has to be subsampled at training time. In this work, we propose GENRE, the first system that retrieves entities by generating their unique names, left to right, token-by-token in an autoregressive fashion. This mitigates the aforementioned technical issues since: (i) the autoregressive formulation directly captures relations between context and entity name, effectively cross encoding both; (ii) the memory footprint is greatly reduced because the parameters of our encoder-decoder architecture scale with vocabulary size, not entity count; (iii) the softmax loss is computed without subsampling negative data. We experiment with more than 20 datasets on entity disambiguation, end-to-end entity linking and document retrieval tasks, achieving new state-of-the-art or very competitive results while using a tiny fraction of the memory footprint of competing systems. Finally, we demonstrate that new entities can be added by simply specifying their names. Code and pre-trained models at https://github.com/facebookresearch/GENRE.

Retrieval augmented language models have recently become the standard for knowledge intensive tasks. Rather than relying purely on latent semantics within the parameters of large neural models, these methods enlist a semi-parametric memory to encode an index of knowledge for the model to retrieve over. Most prior work has employed text passages as the unit of knowledge, which has high coverage at the cost of interpretability, controllability, and efficiency. The opposite properties arise in other methods which have instead relied on knowledge base (KB) facts. At the same time, more recent work has demonstrated the effectiveness of storing and retrieving from an index of Q-A pairs derived from text lewis2021paq. This approach yields a high coverage knowledge representation that maintains KB-like properties due to its representations being more atomic units of information. In this work we push this line of research further by proposing a question-answer augmented encoder-decoder model and accompanying pretraining strategy. This yields an end-to-end system that not only outperforms prior QA retrieval methods on single-hop QA tasks but also enables compositional reasoning, as demonstrated by strong performance on two multi-hop QA datasets. Together, these methods improve the ability to interpret and control the model while narrowing the performance gap with passage retrieval systems.

We introduce a new molecular dataset, named Alchemy, for developing machine learning models useful in chemistry and material science. As of June 20th 2019, the dataset comprises of 12 quantum mechanical properties of 119,487 organic molecules with up to 14 heavy atoms, sampled from the GDB MedChem database. The Alchemy dataset expands the volume and diversity of existing molecular datasets. Our extensive benchmarks of the state-of-the-art graph neural network models on Alchemy clearly manifest the usefulness of new data in validating and developing machine learning models for chemistry and material science. We further launch a contest to attract attentions from researchers in the related fields. More details can be found on the contest website https://alchemy.tencent.com. At the time of benchamrking experiment, we have generated 119,487 molecules in our Alchemy dataset. More molecular samples are generated since then. Hence, we provide a list of molecules used in the reported benchmarks.

The Natural Semantic Metalanguage (NSM) is a linguistic theory based on a universal set of semantic primes: simple, primitive word-meanings that have been shown to exist in most, if not all, languages of the world. According to this framework, any word, regardless of complexity, can be paraphrased using these primes, revealing a clear and universally translatable meaning. These paraphrases, known as explications, can offer valuable applications for many natural language processing (NLP) tasks, but producing them has traditionally been a slow, manual process. In this work, we present the first study of using large language models (LLMs) to generate NSM explications. We introduce automatic evaluation methods, a tailored dataset for training and evaluation, and fine-tuned models for this task. Our 1B and 8B models outperform GPT-4o in producing accurate, cross-translatable explications, marking a significant step toward universal semantic representation with LLMs and opening up new possibilities for applications in semantic analysis, translation, and beyond.

We introduce the Continuum Physical Dataset (ContPhy), a novel benchmark for assessing machine physical commonsense. ContPhy complements existing physical reasoning benchmarks by encompassing the inference of diverse physical properties, such as mass and density, across various scenarios and predicting corresponding dynamics. We evaluated a range of AI models and found that they still struggle to achieve satisfactory performance on ContPhy, which shows that the current AI models still lack physical commonsense for the continuum, especially soft-bodies, and illustrates the value of the proposed dataset. We also introduce an oracle model (ContPRO) that marries the particle-based physical dynamic models with the recent large language models, which enjoy the advantages of both models, precise dynamic predictions, and interpretable reasoning. ContPhy aims to spur progress in perception and reasoning within diverse physical settings, narrowing the divide between human and machine intelligence in understanding the physical world. Project page: https://physical-reasoning-project.github.io.

We present the first comprehensive study on automatic knowledge base construction for two prevalent commonsense knowledge graphs: ATOMIC (Sap et al., 2019) and ConceptNet (Speer et al., 2017). Contrary to many conventional KBs that store knowledge with canonical templates, commonsense KBs only store loosely structured open-text descriptions of knowledge. We posit that an important step toward automatic commonsense completion is the development of generative models of commonsense knowledge, and propose COMmonsEnse Transformers (COMET) that learn to generate rich and diverse commonsense descriptions in natural language. Despite the challenges of commonsense modeling, our investigation reveals promising results when implicit knowledge from deep pre-trained language models is transferred to generate explicit knowledge in commonsense knowledge graphs. Empirical results demonstrate that COMET is able to generate novel knowledge that humans rate as high quality, with up to 77.5% (ATOMIC) and 91.7% (ConceptNet) precision at top 1, which approaches human performance for these resources. Our findings suggest that using generative commonsense models for automatic commonsense KB completion could soon be a plausible alternative to extractive methods.

This thesis introduces quantum natural language processing (QNLP) models based on a simple yet powerful analogy between computational linguistics and quantum mechanics: grammar as entanglement. The grammatical structure of text and sentences connects the meaning of words in the same way that entanglement structure connects the states of quantum systems. Category theory allows to make this language-to-qubit analogy formal: it is a monoidal functor from grammar to vector spaces. We turn this abstract analogy into a concrete algorithm that translates the grammatical structure onto the architecture of parameterised quantum circuits. We then use a hybrid classical-quantum algorithm to train the model so that evaluating the circuits computes the meaning of sentences in data-driven tasks. The implementation of QNLP models motivated the development of DisCoPy (Distributional Compositional Python), the toolkit for applied category theory of which the first chapter gives a comprehensive overview. String diagrams are the core data structure of DisCoPy, they allow to reason about computation at a high level of abstraction. We show how they can encode both grammatical structures and quantum circuits, but also logical formulae, neural networks or arbitrary Python code. Monoidal functors allow to translate these abstract diagrams into concrete computation, interfacing with optimised task-specific libraries. The second chapter uses DisCopy to implement QNLP models as parameterised functors from grammar to quantum circuits. It gives a first proof-of-concept for the more general concept of functorial learning: generalising machine learning from functions to functors by learning from diagram-like data. In order to learn optimal functor parameters via gradient descent, we introduce the notion of diagrammatic differentiation: a graphical calculus for computing the gradients of parameterised diagrams.

The success of language models, especially transformer-based architectures, has trickled into other domains giving rise to "scientific language models" that operate on small molecules, proteins or polymers. In chemistry, language models contribute to accelerating the molecule discovery cycle as evidenced by promising recent findings in early-stage drug discovery. Here, we review the role of language models in molecular discovery, underlining their strength in de novo drug design, property prediction and reaction chemistry. We highlight valuable open-source software assets thus lowering the entry barrier to the field of scientific language modeling. Last, we sketch a vision for future molecular design that combines a chatbot interface with access to computational chemistry tools. Our contribution serves as a valuable resource for researchers, chemists, and AI enthusiasts interested in understanding how language models can and will be used to accelerate chemical discovery.

A common approach for teaching large language models (LLMs) to reason is to train on chain-of-thought (CoT) traces of in-distribution reasoning problems, but such annotated data is costly to obtain for every problem of interest. We want reasoning models to generalize beyond their training distribution, and ideally to generalize compositionally: combine atomic reasoning skills to solve harder, unseen reasoning tasks. We take a step towards compositional generalization of reasoning skills when addressing a target compositional task that has no labeled CoT data. We find that simply training models on CoT data of atomic tasks leads to limited generalization, but minimally modifying CoT formats of constituent atomic tasks to be composable can lead to improvements. We can train "atomic CoT" models on the atomic tasks with Composable CoT data and combine them with multitask learning or model merging for better zero-shot performance on the target compositional task. Such a combined model can be further bootstrapped on a small amount of compositional data using rejection sampling fine-tuning (RFT). Results on string operations and natural language skill compositions show that training LLMs on Composable CoT outperforms multitask learning and continued fine-tuning baselines within a given training data budget.

Models based on machine learning can enable accurate and fast molecular property predictions, which is of interest in drug discovery and material design. Various supervised machine learning models have demonstrated promising performance, but the vast chemical space and the limited availability of property labels make supervised learning challenging. Recently, unsupervised transformer-based language models pretrained on a large unlabelled corpus have produced state-of-the-art results in many downstream natural language processing tasks. Inspired by this development, we present molecular embeddings obtained by training an efficient transformer encoder model, MoLFormer, which uses rotary positional embeddings. This model employs a linear attention mechanism, coupled with highly distributed training, on SMILES sequences of 1.1 billion unlabelled molecules from the PubChem and ZINC datasets. We show that the learned molecular representation outperforms existing baselines, including supervised and self-supervised graph neural networks and language models, on several downstream tasks from ten benchmark datasets. They perform competitively on two others. Further analyses, specifically through the lens of attention, demonstrate that MoLFormer trained on chemical SMILES indeed learns the spatial relationships between atoms within a molecule. These results provide encouraging evidence that large-scale molecular language models can capture sufficient chemical and structural information to predict various distinct molecular properties, including quantum-chemical properties.

Despite the rapid advancement of large language models (LLMs), low-resource languages remain largely excluded from the NLP landscape. We present PunGPT2, the first fully open-source suite of Punjabi large language models, trained from scratch on a 35GB domain-diverse corpus encompassing literature, religious texts, news, and social discourse. Unlike prior multilingual approaches, PunGPT2 captures rich syntactic and morphological features unique to Punjabi through a tokenizer optimised with byte pair encoding and linguistically aligned pretraining objectives. To improve factual grounding and domain recall, we introduce Pun-RAG, a retrieval-augmented generation framework combining PunGPT2 with a dense FAISS retriever over a curated Punjabi knowledge base. We further develop Pun-Instruct, a parameter-efficient, instruction-tuned variant using QLoRA, enabling robust zero-shot and instruction-following performance with significantly reduced compute needs. As a key innovation, we propose Quantum-RAG, a novel hybrid retrieval system that fuses sparse (BM25) and dense methods with quantum-inspired semantic matching. By encoding queries using amplitude-based embeddings and retrieving via quantum kernel similarity, Quantum-RAG achieves improved contextual relevance with minimal memory overhead marking the first practical integration of quantum representations in low-resource language generation. Our models significantly outperform strong multilingual baselines (mBERT, mT5, MuRIL) in perplexity, factuality, and fluency. This work provides a scalable, reproducible blueprint for extending LLM capabilities to underrepresented languages and pioneers quantum-aware retrieval in low-resource NLP

Non-factoid question-answering (NFQA) poses a significant challenge due to its open-ended nature, diverse intents, and the need for multi-aspect reasoning, which renders conventional factoid QA approaches, including retrieval-augmented generation (RAG), inadequate. Unlike factoid questions, non-factoid questions (NFQs) lack definitive answers and require synthesizing information from multiple sources across various reasoning dimensions. To address these limitations, we introduce Typed-RAG, a type-aware multi-aspect decomposition framework within the RAG paradigm for NFQA. Typed-RAG classifies NFQs into distinct types -- such as debate, experience, and comparison -- and applies aspect-based decomposition to refine retrieval and generation strategies. By decomposing multi-aspect NFQs into single-aspect sub-queries and aggregating the results, Typed-RAG generates more informative and contextually relevant responses. To evaluate Typed-RAG, we introduce Wiki-NFQA, a benchmark dataset covering diverse NFQ types. Experimental results demonstrate that Typed-RAG outperforms baselines, thereby highlighting the importance of type-aware decomposition for effective retrieval and generation in NFQA. Our code and dataset are available at https://github.com/TeamNLP/Typed-RAG{https://github.com/TeamNLP/Typed-RAG}.

Phrase representations play an important role in data science and natural language processing, benefiting various tasks like Entity Alignment, Record Linkage, Fuzzy Joins, and Paraphrase Classification. The current state-of-the-art method involves fine-tuning pre-trained language models for phrasal embeddings using contrastive learning. However, we have identified areas for improvement. First, these pre-trained models tend to be unnecessarily complex and require to be pre-trained on a corpus with context sentences. Second, leveraging the phrase type and morphology gives phrase representations that are both more precise and more flexible. We propose an improved framework to learn phrase representations in a context-free fashion. The framework employs phrase type classification as an auxiliary task and incorporates character-level information more effectively into the phrase representation. Furthermore, we design three granularities of data augmentation to increase the diversity of training samples. Our experiments across a wide range of tasks show that our approach generates superior phrase embeddings compared to previous methods while requiring a smaller model size. The code is available at \faGithub~ https://github.com/tigerchen52/PEARL abstract

Context. Extreme-ultraviolet (EUV) observations have revealed small-scale transient brightenings that may share common physical mechanisms with larger-scale solar flares. A notable feature of solar and stellar flares is the presence of quasi-periodic pulsations (QPPs), which are considered a common and potentially intrinsic characteristic. Aims. We investigate the properties of QPPs detected in EUV brightenings, which are considered small-scale flares, and compare their statistical properties with those observed in solar and stellar flares. Methods. We extracted integrated light curves of 22,623 EUV brightenings in two quiet Sun regions observed by the Solar Orbiter/Extreme Ultraviolet Imager and identified QPPs in their light curves using Fourier analysis. Results. Approximately 2.7 % of the EUV brightenings exhibited stationary QPPs. The QPP occurrence rate increased with the surface area, lifetime, and peak brightness of the EUV brightenings. The detected QPP periods ranged from approximately 15 to 260 seconds, which is comparable to the periods observed in solar and stellar flares. Consistent with observations of QPPs in solar and stellar flares, no correlation was found between the QPP period and peak brightness. However, unlike the trend observed in solar flares, no correlation was found between the QPP period and lifetime/length scale. Conclusions. The presence of QPPs in EUV brightenings supports the interpretation that these events may be small-scale manifestations of flares, and the absence of period scaling with loop length further suggests that standing waves may not be the primary driver of QPPs in these events.

We propose an imperceptible multi-bit text watermark embedded by paraphrasing with LLMs. We fine-tune a pair of LLM paraphrasers that are designed to behave differently so that their paraphrasing difference reflected in the text semantics can be identified by a trained decoder. To embed our multi-bit watermark, we use two paraphrasers alternatively to encode the pre-defined binary code at the sentence level. Then we use a text classifier as the decoder to decode each bit of the watermark. Through extensive experiments, we show that our watermarks can achieve over 99.99\% detection AUC with small (1.1B) text paraphrasers while keeping the semantic information of the original sentence. More importantly, our pipeline is robust under word substitution and sentence paraphrasing perturbations and generalizes well to out-of-distributional data. We also show the stealthiness of our watermark with LLM-based evaluation. We open-source the code: https://github.com/xiaojunxu/multi-bit-text-watermark.

We report the measurement of the electric dipole moment of aluminum monochloride (AlCl) using a cryogenic buffer-gas beam source. Our measurements provide values for the dipole moments of the two lowest vibrational states of the X^1Sigma^+ and the A^1Pi electronic states. We also show that spin-orbit coupling with an extended number of spin states is essential in the ab initio calculation to correctly describe both the dipole moment and the Te energy of AlCl. We further lay out the implications of these results for astrophysical models of stellar and planetary evolution that have used a substitute value for the dipole moment of AlCl until now.

Existing paraphrase identification datasets lack sentence pairs that have high lexical overlap without being paraphrases. Models trained on such data fail to distinguish pairs like flights from New York to Florida and flights from Florida to New York. This paper introduces PAWS (Paraphrase Adversaries from Word Scrambling), a new dataset with 108,463 well-formed paraphrase and non-paraphrase pairs with high lexical overlap. Challenging pairs are generated by controlled word swapping and back translation, followed by fluency and paraphrase judgments by human raters. State-of-the-art models trained on existing datasets have dismal performance on PAWS (<40% accuracy); however, including PAWS training data for these models improves their accuracy to 85% while maintaining performance on existing tasks. In contrast, models that do not capture non-local contextual information fail even with PAWS training examples. As such, PAWS provides an effective instrument for driving further progress on models that better exploit structure, context, and pairwise comparisons.

This document offers a detailed linguistic description of SNACS (Semantic Network of Adposition and Case Supersenses; Schneider et al., 2018), an inventory of 52 semantic labels ("supersenses") that characterize the use of adpositions and case markers at a somewhat coarse level of granularity, as demonstrated in the STREUSLE corpus (https://github.com/nert-nlp/streusle/ ; version 4.5 tracks guidelines version 2.6). Though the SNACS inventory aspires to be universal, this document is specific to English; documentation for other languages will be published separately. Version 2 is a revision of the supersense inventory proposed for English by Schneider et al. (2015, 2016) (henceforth "v1"), which in turn was based on previous schemes. The present inventory was developed after extensive review of the v1 corpus annotations for English, plus previously unanalyzed genitive case possessives (Blodgett and Schneider, 2018), as well as consideration of adposition and case phenomena in Hebrew, Hindi, Korean, and German. Hwang et al. (2017) present the theoretical underpinnings of the v2 scheme. Schneider et al. (2018) summarize the scheme, its application to English corpus data, and an automatic disambiguation task. Liu et al. (2021) offer an English Lexical Semantic Recognition tagger that includes SNACS labels in its output. This documentation can also be browsed alongside corpus data on the Xposition website (Gessler et al., 2022): http://www.xposition.org/

Recent advances in large language models (LLMs) and the intensifying popularity of ChatGPT-like applications have blurred the boundary of high-quality text generation between humans and machines. However, in addition to the anticipated revolutionary changes to our technology and society, the difficulty of distinguishing LLM-generated texts (AI-text) from human-generated texts poses new challenges of misuse and fairness, such as fake content generation, plagiarism, and false accusations of innocent writers. While existing works show that current AI-text detectors are not robust to LLM-based paraphrasing, this paper aims to bridge this gap by proposing a new framework called RADAR, which jointly trains a robust AI-text detector via adversarial learning. RADAR is based on adversarial training of a paraphraser and a detector. The paraphraser's goal is to generate realistic content to evade AI-text detection. RADAR uses the feedback from the detector to update the paraphraser, and vice versa. Evaluated with 8 different LLMs (Pythia, Dolly 2.0, Palmyra, Camel, GPT-J, Dolly 1.0, LLaMA, and Vicuna) across 4 datasets, experimental results show that RADAR significantly outperforms existing AI-text detection methods, especially when paraphrasing is in place. We also identify the strong transferability of RADAR from instruction-tuned LLMs to other LLMs, and evaluate the improved capability of RADAR via GPT-3.5-Turbo.

The recent success of large language models for text generation poses a severe threat to academic integrity, as plagiarists can generate realistic paraphrases indistinguishable from original work. However, the role of large autoregressive transformers in generating machine-paraphrased plagiarism and their detection is still developing in the literature. This work explores T5 and GPT-3 for machine-paraphrase generation on scientific articles from arXiv, student theses, and Wikipedia. We evaluate the detection performance of six automated solutions and one commercial plagiarism detection software and perform a human study with 105 participants regarding their detection performance and the quality of generated examples. Our results suggest that large models can rewrite text humans have difficulty identifying as machine-paraphrased (53% mean acc.). Human experts rate the quality of paraphrases generated by GPT-3 as high as original texts (clarity 4.0/5, fluency 4.2/5, coherence 3.8/5). The best-performing detection model (GPT-3) achieves a 66% F1-score in detecting paraphrases.

Despite the remarkable progress in natural language understanding with pretrained Transformers, neural language models often do not handle commonsense knowledge well. Toward commonsense-aware models, there have been attempts to obtain knowledge, ranging from automatic acquisition to crowdsourcing. However, it is difficult to obtain a high-quality knowledge base at a low cost, especially from scratch. In this paper, we propose PHALM, a method of building a knowledge graph from scratch, by prompting both crowdworkers and a large language model (LLM). We used this method to build a Japanese event knowledge graph and trained Japanese commonsense generation models. Experimental results revealed the acceptability of the built graph and inferences generated by the trained models. We also report the difference in prompting humans and an LLM. Our code, data, and models are available at github.com/nlp-waseda/comet-atomic-ja.

The widespread adoption of large language models (LLMs) has created an urgent need for robust tools to detect LLM-generated text, especially in light of paraphrasing techniques that often evade existing detection methods. To address this challenge, we present a novel semantic-enhanced framework for detecting LLM-generated text (SEFD) that leverages a retrieval-based mechanism to fully utilize text semantics. Our framework improves upon existing detection methods by systematically integrating retrieval-based techniques with traditional detectors, employing a carefully curated retrieval mechanism that strikes a balance between comprehensive coverage and computational efficiency. We showcase the effectiveness of our approach in sequential text scenarios common in real-world applications, such as online forums and Q\&A platforms. Through comprehensive experiments across various LLM-generated texts and detection methods, we demonstrate that our framework substantially enhances detection accuracy in paraphrasing scenarios while maintaining robustness for standard LLM-generated content.

The rapid expansion of chemistry literature poses significant challenges for researchers seeking to efficiently access domain-specific knowledge. To support advancements in chemistry-focused natural language processing (NLP), we present ChemRxivQuest, a curated dataset of 970 high-quality question-answer (QA) pairs derived from 155 ChemRxiv preprints across 17 subfields of chemistry. Each QA pair is explicitly linked to its source text segment to ensure traceability and contextual accuracy. ChemRxivQuest was constructed using an automated pipeline that combines optical character recognition (OCR), GPT-4o-based QA generation, and a fuzzy matching technique for answer verification. The dataset emphasizes conceptual, mechanistic, applied, and experimental questions, enabling applications in retrieval-based QA systems, search engine development, and fine-tuning of domain-adapted large language models. We analyze the dataset's structure, coverage, and limitations, and outline future directions for expansion and expert validation. ChemRxivQuest provides a foundational resource for chemistry NLP research, education, and tool development.

Fact-checking long-form text is challenging, and it is therefore common practice to break it down into multiple atomic claims. The typical approach to fact-checking these atomic claims involves retrieving a fixed number of pieces of evidence, followed by a verification step. However, this method is usually not cost-effective, as it underutilizes the verification model's internal knowledge of the claim and fails to replicate the iterative reasoning process in human search strategies. To address these limitations, we propose FIRE, a novel agent-based framework that integrates evidence retrieval and claim verification in an iterative manner. Specifically, FIRE employs a unified mechanism to decide whether to provide a final answer or generate a subsequent search query, based on its confidence in the current judgment. We compare FIRE with other strong fact-checking frameworks and find that it achieves slightly better performance while reducing large language model (LLM) costs by an average of 7.6 times and search costs by 16.5 times. These results indicate that FIRE holds promise for application in large-scale fact-checking operations. Our code is available at https://github.com/mbzuai-nlp/fire.git.

In order to simplify a sentence, human editors perform multiple rewriting transformations: they split it into several shorter sentences, paraphrase words (i.e. replacing complex words or phrases by simpler synonyms), reorder components, and/or delete information deemed unnecessary. Despite these varied range of possible text alterations, current models for automatic sentence simplification are evaluated using datasets that are focused on a single transformation, such as lexical paraphrasing or splitting. This makes it impossible to understand the ability of simplification models in more realistic settings. To alleviate this limitation, this paper introduces ASSET, a new dataset for assessing sentence simplification in English. ASSET is a crowdsourced multi-reference corpus where each simplification was produced by executing several rewriting transformations. Through quantitative and qualitative experiments, we show that simplifications in ASSET are better at capturing characteristics of simplicity when compared to other standard evaluation datasets for the task. Furthermore, we motivate the need for developing better methods for automatic evaluation using ASSET, since we show that current popular metrics may not be suitable when multiple simplification transformations are performed.

Hallucination has emerged as the most vulnerable aspect of contemporary Large Language Models (LLMs). In this paper, we introduce the Sorry, Come Again (SCA) prompting, aimed to avoid LLM hallucinations by enhancing comprehension through: (i) optimal paraphrasing and (ii) injecting [PAUSE] tokens to delay LLM generation. First, we provide an in-depth analysis of linguistic nuances: formality, readability, and concreteness of prompts for 21 LLMs, and elucidate how these nuances contribute to hallucinated generation. Prompts with lower readability, formality, or concreteness pose comprehension challenges for LLMs, similar to those faced by humans. In such scenarios, an LLM tends to speculate and generate content based on its imagination (associative memory) to fill these information gaps. Although these speculations may occasionally align with factual information, their accuracy is not assured, often resulting in hallucination. Recent studies reveal that an LLM often neglects the middle sections of extended prompts, a phenomenon termed as lost in the middle. While a specific paraphrase may suit one LLM, the same paraphrased version may elicit a different response from another LLM. Therefore, we propose an optimal paraphrasing technique to identify the most comprehensible paraphrase of a given prompt, evaluated using Integrated Gradient (and its variations) to guarantee that the LLM accurately processes all words. While reading lengthy sentences, humans often pause at various points to better comprehend the meaning read thus far. We have fine-tuned an LLM with injected [PAUSE] tokens, allowing the LLM to pause while reading lengthier prompts. This has brought several key contributions: (i) determining the optimal position to inject [PAUSE], (ii) determining the number of [PAUSE] tokens to be inserted, and (iii) introducing reverse proxy tuning to fine-tune the LLM for [PAUSE] insertion.

Exotic hadrons are a new class of hadronic states whose properties do not allow them to be classified as conventional quark-antiquark mesons or three quark baryons. Finding new and understanding established exotic states is the most important topic in today's hadron spectroscopy and a promising avenue to advance our knowledge on Quantum Chromodynamics in the non-perturbative regime. While several high-quality reviews on the topic exist, they are all at an advanced level. The present article aims to address new-comers to the field with a simple introduction to exotic hadrons with an emphasis on the experimental studies.

We present specialized Large Language Models for theoretical High-Energy Physics, obtained as 20 fine-tuned variants of the 8-billion parameter Llama-3.1 model. Each variant was trained on arXiv abstracts (through August 2024) from different combinations of hep-th, hep-ph and gr-qc. For a comparative study, we also trained models on datasets that contained abstracts from disparate fields such as the q-bio and cs categories. All models were fine-tuned using two distinct Low-Rank Adaptation fine-tuning approaches and varying dataset sizes, and outperformed the base model on hep-th abstract completion tasks. We compare performance against leading commercial LLMs (ChatGPT, Claude, Gemini, DeepSeek) and derive insights for further developing specialized language models for High-Energy Theoretical Physics.

Probabilistic text generators have been used to produce fake scientific papers for more than a decade. Such nonsensical papers are easily detected by both human and machine. Now more complex AI-powered generation techniques produce texts indistinguishable from that of humans and the generation of scientific texts from a few keywords has been documented. Our study introduces the concept of tortured phrases: unexpected weird phrases in lieu of established ones, such as 'counterfeit consciousness' instead of 'artificial intelligence.' We combed the literature for tortured phrases and study one reputable journal where these concentrated en masse. Hypothesising the use of advanced language models we ran a detector on the abstracts of recent articles of this journal and on several control sets. The pairwise comparisons reveal a concentration of abstracts flagged as 'synthetic' in the journal. We also highlight irregularities in its operation, such as abrupt changes in editorial timelines. We substantiate our call for investigation by analysing several individual dubious articles, stressing questionable features: tortured writing style, citation of non-existent literature, and unacknowledged image reuse. Surprisingly, some websites offer to rewrite texts for free, generating gobbledegook full of tortured phrases. We believe some authors used rewritten texts to pad their manuscripts. We wish to raise the awareness on publications containing such questionable AI-generated or rewritten texts that passed (poor) peer review. Deception with synthetic texts threatens the integrity of the scientific literature.

The rapid advancement in artificial intelligence and natural language processing has led to the development of large-scale datasets aimed at benchmarking the performance of machine learning models. Herein, we introduce 'RetChemQA,' a comprehensive benchmark dataset designed to evaluate the capabilities of such models in the domain of reticular chemistry. This dataset includes both single-hop and multi-hop question-answer pairs, encompassing approximately 45,000 Q&As for each type. The questions have been extracted from an extensive corpus of literature containing about 2,530 research papers from publishers including NAS, ACS, RSC, Elsevier, and Nature Publishing Group, among others. The dataset has been generated using OpenAI's GPT-4 Turbo, a cutting-edge model known for its exceptional language understanding and generation capabilities. In addition to the Q&A dataset, we also release a dataset of synthesis conditions extracted from the corpus of literature used in this study. The aim of RetChemQA is to provide a robust platform for the development and evaluation of advanced machine learning algorithms, particularly for the reticular chemistry community. The dataset is structured to reflect the complexities and nuances of real-world scientific discourse, thereby enabling nuanced performance assessments across a variety of tasks. The dataset is available at the following link: https://github.com/nakulrampal/RetChemQA

Large-scale pre-training methodologies for chemical language models represent a breakthrough in cheminformatics. These methods excel in tasks such as property prediction and molecule generation by learning contextualized representations of input tokens through self-supervised learning on large unlabeled corpora. Typically, this involves pre-training on unlabeled data followed by fine-tuning on specific tasks, reducing dependence on annotated datasets and broadening chemical language representation understanding. This paper introduces a large encoder-decoder chemical foundation models pre-trained on a curated dataset of 91 million SMILES samples sourced from PubChem, which is equivalent to 4 billion of molecular tokens. The proposed foundation model supports different complex tasks, including quantum property prediction, and offer flexibility with two main variants (289M and 8times289M). Our experiments across multiple benchmark datasets validate the capacity of the proposed model in providing state-of-the-art results for different tasks. We also provide a preliminary assessment of the compositionality of the embedding space as a prerequisite for the reasoning tasks. We demonstrate that the produced latent space is separable compared to the state-of-the-art with few-shot learning capabilities.

In this paper, we introduce the BeaverTails dataset, aimed at fostering research on safety alignment in large language models (LLMs). This dataset uniquely separates annotations of helpfulness and harmlessness for question-answering pairs, thus offering distinct perspectives on these crucial attributes. In total, we have compiled safety meta-labels for 30,207 question-answer (QA) pairs and gathered 30,144 pairs of expert comparison data for both the helpfulness and harmlessness metrics. We further showcase applications of BeaverTails in content moderation and reinforcement learning with human feedback (RLHF), emphasizing its potential for practical safety measures in LLMs. We believe this dataset provides vital resources for the community, contributing towards the safe development and deployment of LLMs. Our project page is available at the following URL: https://sites.google.com/view/pku-beavertails.

Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized domains such as biomolecular studies remains limited. To address this challenge, we introduce Mol-Instructions, a meticulously curated, comprehensive instruction dataset expressly designed for the biomolecular realm. Mol-Instructions is composed of three pivotal components: molecule-oriented instructions, protein-oriented instructions, and biomolecular text instructions, each curated to enhance the understanding and prediction capabilities of LLMs concerning biomolecular features and behaviors. Through extensive instruction tuning experiments on the representative LLM, we underscore the potency of Mol-Instructions to enhance the adaptability and cognitive acuity of large models within the complex sphere of biomolecular studies, thereby promoting advancements in the biomolecular research community. Mol-Instructions is made publicly accessible for future research endeavors and will be subjected to continual updates for enhanced applicability.

Solar photospheric abundances and CI-chondrite compositions are reviewed and updated to obtain representative solar system abundances of the elements and their isotopes. The new photospheric abundances obtained here lead to higher solar metallicity. Full 3D NLTE photospheric analyses are only available for 11 elements. A quality index for analyses is introduced. For several elements, uncertainties remain large. Protosolar mass fractions are H (X = 0.7060), He (Y = 0.2753), and for metals Li to U (Z = 0.0187). The protosolar (C+N)/H agrees within 13% with the ratio for the solar core from the Borexino experiment. Elemental abundances in CI-chondrites were screened by analytical methods, sample sizes, and evaluated using concentration frequency distributions. Aqueously mobile elements (e.g., alkalis, alkaline earths, etc.) often deviate from normal distributions indicating mobilization and/or sequestration into carbonates, phosphates, and sulfates. Revised CI-chondrite abundances of non-volatile elements are similar to earlier estimates. The moderately volatile elements F and Sb are higher than before, as are C, Br and I, whereas the CI-abundances of Hg and N are now significantly lower. The solar system nuclide distribution curves of s-process elements agree within 4% with s-process predictions of Galactic chemical evolution models. P-process nuclide distributions are assessed. No obvious correlation of CI-chondritic to solar elemental abundance ratios with condensation temperatures is observed, nor is there one for ratios of CI-chondrites/solar wind abundances.

The full power of human language-based communication cannot be realized without negation. All human languages have some form of negation. Despite this, negation remains a challenging phenomenon for current natural language understanding systems. To facilitate the future development of models that can process negation effectively, we present CONDAQA, the first English reading comprehension dataset which requires reasoning about the implications of negated statements in paragraphs. We collect paragraphs with diverse negation cues, then have crowdworkers ask questions about the implications of the negated statement in the passage. We also have workers make three kinds of edits to the passage -- paraphrasing the negated statement, changing the scope of the negation, and reversing the negation -- resulting in clusters of question-answer pairs that are difficult for models to answer with spurious shortcuts. CONDAQA features 14,182 question-answer pairs with over 200 unique negation cues and is challenging for current state-of-the-art models. The best performing model on CONDAQA (UnifiedQA-v2-3b) achieves only 42% on our consistency metric, well below human performance which is 81%. We release our dataset, along with fully-finetuned, few-shot, and zero-shot evaluations, to facilitate the development of future NLP methods that work on negated language.

The ability to quickly and accurately compute properties from atomic simulations is critical for advancing a large number of applications in chemistry and materials science including drug discovery, energy storage, and semiconductor manufacturing. To address this need, Meta FAIR presents a family of Universal Models for Atoms (UMA), designed to push the frontier of speed, accuracy, and generalization. UMA models are trained on half a billion unique 3D atomic structures (the largest training runs to date) by compiling data across multiple chemical domains, e.g. molecules, materials, and catalysts. We develop empirical scaling laws to help understand how to increase model capacity alongside dataset size to achieve the best accuracy. The UMA small and medium models utilize a novel architectural design we refer to as mixture of linear experts that enables increasing model capacity without sacrificing speed. For example, UMA-medium has 1.4B parameters but only ~50M active parameters per atomic structure. We evaluate UMA models on a diverse set of applications across multiple domains and find that, remarkably, a single model without any fine-tuning can perform similarly or better than specialized models. We are releasing the UMA code, weights, and associated data to accelerate computational workflows and enable the community to continue to build increasingly capable AI models.

Scientific texts often convey authority due to their technical language and complex data. However, this complexity can sometimes lead to the spread of misinformation. Non-experts are particularly susceptible to misleading claims based on scientific tables due to their high information density and perceived credibility. Existing table claim verification models, including state-of-the-art large language models (LLMs), often struggle with precise fine-grained reasoning, resulting in errors and a lack of precision in verifying scientific claims. Inspired by Cognitive Load Theory, we propose that enhancing a model's ability to interpret table-based claims involves reducing cognitive load by developing modular, reusable reasoning components (i.e., atomic skills). We introduce a skill-chaining schema that dynamically composes these skills to facilitate more accurate and generalizable reasoning with a reduced cognitive load. To evaluate this, we create SciAtomicBench, a cross-domain benchmark with fine-grained reasoning annotations. With only 350 fine-tuning examples, our model trained by atomic reasoning outperforms GPT-4o's chain-of-thought method, achieving state-of-the-art results with far less training data.

Whether the media faithfully communicate scientific information has long been a core issue to the science community. Automatically identifying paraphrased scientific findings could enable large-scale tracking and analysis of information changes in the science communication process, but this requires systems to understand the similarity between scientific information across multiple domains. To this end, we present the SCIENTIFIC PARAPHRASE AND INFORMATION CHANGE DATASET (SPICED), the first paraphrase dataset of scientific findings annotated for degree of information change. SPICED contains 6,000 scientific finding pairs extracted from news stories, social media discussions, and full texts of original papers. We demonstrate that SPICED poses a challenging task and that models trained on SPICED improve downstream performance on evidence retrieval for fact checking of real-world scientific claims. Finally, we show that models trained on SPICED can reveal large-scale trends in the degrees to which people and organizations faithfully communicate new scientific findings. Data, code, and pre-trained models are available at http://www.copenlu.com/publication/2022_emnlp_wright/.

Language Models [LMs] are now playing an increasingly large role in information generation and synthesis; the representation of scientific knowledge in these systems needs to be highly accurate. A prime challenge is hallucination; that is, generating apparently plausible but actually false information, including invented citations and nonexistent research papers. This kind of inaccuracy is dangerous in all the domains that require high levels of factual correctness, such as academia and education. This work presents a pipeline for evaluating the frequency with which language models hallucinate in generating responses in the scientific literature. We propose ArxEval, an evaluation pipeline with two tasks using ArXiv as a repository: Jumbled Titles and Mixed Titles. Our evaluation includes fifteen widely used language models and provides comparative insights into their reliability in handling scientific literature.

Prior works on detoxification are scattered in the sense that they do not cover all aspects of detoxification needed in a real-world scenario. Notably, prior works restrict the task of developing detoxification models to only a seen subset of platforms, leaving the question of how the models would perform on unseen platforms unexplored. Additionally, these works do not address non-detoxifiability, a phenomenon whereby the toxic text cannot be detoxified without altering the meaning. We propose GreenLLaMA, the first comprehensive end-to-end detoxification framework, which attempts to alleviate the aforementioned limitations. We first introduce a cross-platform pseudo-parallel corpus applying multi-step data processing and generation strategies leveraging ChatGPT. We then train a suite of detoxification models with our cross-platform corpus. We show that our detoxification models outperform the SoTA model trained with human-annotated parallel corpus. We further introduce explanation to promote transparency and trustworthiness. GreenLLaMA additionally offers a unique paraphrase detector especially dedicated for the detoxification task to tackle the non-detoxifiable cases. Through experimental analysis, we demonstrate the effectiveness of our cross-platform corpus and the robustness of GreenLLaMA against adversarial toxicity.

Compositional AI systems, which combine multiple artificial intelligence components together with other application components to solve a larger problem, have no known pattern of development and are often approached in a bespoke and ad hoc style. This makes development slower and harder to reuse for future applications. To support the full rapid development cycle of compositional AI applications, we have developed a novel framework called (Bee)* (written as a regular expression and pronounced as "beestar"). We illustrate how (Bee)* supports building integrated, scalable, and interactive compositional AI applications with a simplified developer experience.

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automated synthesis approaches. To better enable the discovery of functional small molecules, LLMs need to learn a new molecular language that is more effective in predicting properties and inherently synced with automated synthesis technology. Current molecule LLMs are limited by representing molecules based on atoms. In this paper, we argue that just like tokenizing texts into meaning-bearing (sub-)word tokens instead of characters, molecules should be tokenized at the level of functional building blocks, i.e., parts of molecules that bring unique functions and serve as effective building blocks for real-world automated laboratory synthesis. This motivates us to propose mCLM, a modular Chemical-Language Model that comprises a bilingual language model that understands both natural language descriptions of functions and molecular blocks. mCLM front-loads synthesizability considerations while improving the predicted functions of molecules in a principled manner. mCLM, with only 3B parameters, achieves improvements in synthetic accessibility relative to 7 other leading generative AI methods including GPT-5. When tested on 122 out-of-distribution medicines using only building blocks/tokens that are compatible with automated modular synthesis, mCLM outperforms all baselines in property scores and synthetic accessibility. mCLM can also reason on multiple functions and iteratively self-improve to rescue drug candidates that failed late in clinical trials ("fallen angels").

We present BabyLlama-2, a 345 million parameter model distillation-pretrained from two teachers on a 10 million word corpus for the BabyLM competition. On BLiMP and SuperGLUE benchmarks, BabyLlama-2 outperforms baselines trained on both 10 and 100 million word datasets with the same data mix, as well as its teacher models. Through an extensive hyperparameter sweep, we demonstrate that the advantages of distillation cannot be attributed to suboptimal hyperparameter selection of the teachers. Our findings underscore the need for further investigation into distillation techniques, particularly in data-limited settings.

We present Gyan AI Paramanu ("atom"), a family of novel language models for Indian languages. It is a collection of auto-regressive monolingual, bilingual, and multilingual Indic language models pretrained from scratch on a single GPU for 10 Indian languages (Assamese, Bangla, Hindi, Konkani, Maithili, Marathi, Odia, Sanskrit, Tamil, Telugu) across 5 scripts (Bangla, Devanagari, Odia, Tamil, Telugu) of varying sizes ranging from 13.29M to 367.5M.The models are pretrained with a context size of 1024 on a single GPU. The models are very efficient, small, fast, and powerful. We have also developed an efficient most advanced Indic tokenizer that can even tokenize unseen languages. In order to avoid the "curse of multi-linguality" in our multilingual mParamanu model, we pretrained on comparable corpora by typological grouping using the same script. We performed human evaluation of our pretrained models for open end text generation on grammar, coherence, creativity, and factuality metrics for Bangla, Hindi, and Sanskrit. Our Bangla, Hindi, and Sanskrit models outperformed GPT-3.5-Turbo (ChatGPT), Bloom 7B, LLaMa-2 7B, OPT 6.7B, GPT-J 6B, GPTNeo 1.3B, GPT2-XL large language models (LLMs) by a large margin despite being smaller in size by 66 to 20 times compared to standard 7B LLMs. To run inference on our pretrained models, CPU is enough, and GPU is not needed. We also instruction-tuned our pretrained Bangla, Hindi, Marathi, Tamil, and Telugu models on 23k instructions in respective languages. Our pretrained and instruction-tuned models which are first of its kind, most powerful efficient small generative language models ever developed for Indic languages, and the various results lead to the conclusion that high quality generative language models are possible without high amount of compute power and humongous number of parameters. We plan to release our models at https://www.bharatgpts.com.

Chemical similarity searches are widely used in-silico methods for identifying new drug-like molecules. These methods have historically relied on structure-based comparisons to compute molecular similarity. Here, we use a chemical language model to create a vector-based chemical search. We extend implementations by creating a prompt engineering strategy that utilizes two different chemical string representation algorithms: one for the query and the other for the database. We explore this method by reviewing the search results from five drug-like query molecules (penicillin G, nirmatrelvir, zidovudine, lysergic acid diethylamide, and fentanyl) and three dye-like query molecules (acid blue 25, avobenzone, and 2-diphenylaminocarbazole). We find that this novel method identifies molecules that are functionally similar to the query, indicated by the associated patent literature, and that many of these molecules are structurally distinct from the query, making them unlikely to be found with traditional chemical similarity search methods. This method may aid in the discovery of novel structural classes of molecules that achieve target functionality.

This paper proposes a ChatGPT-based zero-shot Text-to-SQL method, dubbed C3, which achieves 82.3\% in terms of execution accuracy on the holdout test set of Spider and becomes the state-of-the-art zero-shot Text-to-SQL method on the Spider Challenge. C3 consists of three key components: Clear Prompting (CP), Calibration with Hints (CH), and Consistent Output (CO), which are corresponding to the model input, model bias and model output respectively. It provides a systematic treatment for zero-shot Text-to-SQL. Extensive experiments have been conducted to verify the effectiveness and efficiency of our proposed method.

The measured neutron flux from the Moons south polar region shows evidence of locally enhanced hydrogen concentrations, likely in the form of water ice, within most permanently shadowed regions (PSR), poleward of 77 deg S latitude. Results are consistent with the original findings of Watson et al, 1961, which found that the PSRs cryogenic surfaces create exclusive conditions for the sequestration of water ice, due to their extremely low sublimation rates. Widespread PSR hydrogenation is demonstrated in several studies by showing that the contrasting PSR area distribution is being instrumentally blurred. The PSRs expected hydrogen observations are correlated by their area fraction of the fixed 30 km diameter footprint area of the Collimated Sensor for Epithermal Neutrons (CSETN), which is part of the Lunar Exploration Neutron Detector (LEND) onboard the Lunar Reconnaissance Orbiter (LRO). The correlation indicates that the PSRs are similarly hydrogenated, with an expected concentration = 0.27 wt%, relative to that of the anhydrous reference terrain (lower bounds). Hydrogen concentrations are demonstrated to be correlated to maximum temperature distributions within the basins of Haworth, Shoemaker and Faustini PSRs. Cabeus-1 PSR shows an anomalously enhanced hydrogen concentration indicating a second process contributes to its hydrogen budget. Results are consistent with ongoing processes that introduce volatiles to the surface including outgassing, solar wind production with regolith silicates, and mixing from small scale meteor impacts and diurnal temperature variation. We validate the bandpass filter used to subtract CSETNs detection of uncollimated neutrons with profiles of several PSRs neutron suppression before and after processing. Keywords: Moon, Epithermal Neutron, Hydrogen, Water, Ice, Volatiles, LRO, LEND, Diviner, LOLA

We have recently seen the emergence of several publicly available Natural Language Understanding (NLU) toolkits, which map user utterances to structured, but more abstract, Dialogue Act (DA) or Intent specifications, while making this process accessible to the lay developer. In this paper, we present the first wide coverage evaluation and comparison of some of the most popular NLU services, on a large, multi-domain (21 domains) dataset of 25K user utterances that we have collected and annotated with Intent and Entity Type specifications and which will be released as part of this submission. The results show that on Intent classification Watson significantly outperforms the other platforms, namely, Dialogflow, LUIS and Rasa; though these also perform well. Interestingly, on Entity Type recognition, Watson performs significantly worse due to its low Precision. Again, Dialogflow, LUIS and Rasa perform well on this task.

Large language models (LLMs) such as generative pretrained transformers (GPTs) have shown potential for various commercial applications, but their applicability for materials design remains underexplored. In this article, we introduce AtomGPT, a model specifically developed for materials design based on transformer architectures, to demonstrate the capability for both atomistic property prediction and structure generation. We show that a combination of chemical and structural text descriptions can efficiently predict material properties with accuracy comparable to graph neural network models, including formation energies, electronic bandgaps from two different methods and superconducting transition temperatures. Furthermore, we demonstrate that AtomGPT can generate atomic structures for tasks such as designing new superconductors, with the predictions validated through density functional theory calculations. This work paves the way for leveraging LLMs in forward and inverse materials design, offering an efficient approach to the discovery and optimization of materials.

Cassiopeia A (Cas A) is the youngest known core-collapse supernova remnant (SNR) in the Galaxy and is perhaps the best-studied SNR in X-rays. Cas A has a line-rich spectrum dominated by thermal emission and given its high flux, it is an appealing target for high-resolution X-ray spectroscopy. Cas A was observed at two different locations during the Performance Verification phase of the XRISM mission, one location in the southeastern part (SE) of the remnant and one in the northwestern part (NW). This paper serves as an overview of these observations and discusses some of the issues relevant for the analysis of the data. We present maps of the so-called ``spatial-spectral mixing'' effect due to the fact that the XRISM point-spread function is larger than a pixel in the Resolve calorimeter array. We analyze spectra from two bright, on-axis regions such that the effects of spatial-spectral mixing are minimized. We find that it is critical to include redshifts/blueshifts and broadening of the emission lines in the two thermal components to achieve a reasonable fit given the high spectral resolution of the Resolve calorimeter. We fit the spectra with two versions of the AtomDB atomic database (3.0.9 and 3.1.0) and two versions of the SPEX (3.08.00 and 3.08.01*) spectral fitting software. Overall we find good agreement between AtomDB 3.1.0 and SPEX 3.08.01* for the spectral models considered in this paper. The most significant difference we found between AtomDB 3.0.9 and 3.1.0 and between AtomDB 3.1.0 and SPEX 3.08.01* is the Ni abundance, with the new atomic data favoring a considerably lower (up to a factor of 3) Ni abundance. Both regions exhibit significantly enhanced abundances compared to Solar values indicating that supernova ejecta dominate the emission in these regions. We find that the abundance ratios of Ti/Fe, Mn/Fe, \& Ni/Fe are significantly lower in the NW than the SE.

Evaluation is the baton for the development of large language models. Current evaluations typically employ a single-item assessment paradigm for each atomic test objective, which struggles to discern whether a model genuinely possesses the required capabilities or merely memorizes/guesses the answers to specific questions. To this end, we propose a novel evaluation framework referred to as StructEval. Starting from an atomic test objective, StructEval deepens and broadens the evaluation by conducting a structured assessment across multiple cognitive levels and critical concepts, and therefore offers a comprehensive, robust and consistent evaluation for LLMs. Experiments on three widely-used benchmarks demonstrate that StructEval serves as a reliable tool for resisting the risk of data contamination and reducing the interference of potential biases, thereby providing more reliable and consistent conclusions regarding model capabilities. Our framework also sheds light on the design of future principled and trustworthy LLM evaluation protocols.

Euphemisms have not received much attention in natural language processing, despite being an important element of polite and figurative language. Euphemisms prove to be a difficult topic, not only because they are subject to language change, but also because humans may not agree on what is a euphemism and what is not. Nevertheless, the first step to tackling the issue is to collect and analyze examples of euphemisms. We present a corpus of potentially euphemistic terms (PETs) along with example texts from the GloWbE corpus. Additionally, we present a subcorpus of texts where these PETs are not being used euphemistically, which may be useful for future applications. We also discuss the results of multiple analyses run on the corpus. Firstly, we find that sentiment analysis on the euphemistic texts supports that PETs generally decrease negative and offensive sentiment. Secondly, we observe cases of disagreement in an annotation task, where humans are asked to label PETs as euphemistic or not in a subset of our corpus text examples. We attribute the disagreement to a variety of potential reasons, including if the PET was a commonly accepted term (CAT).

Large Language Models (LLMs) are highly sensitive to subtle, non-semantic variations in prompt phrasing and formatting. In this work, we present the first systematic evaluation of 5 methods for improving prompt robustness within a unified experimental framework. We benchmark these techniques on 8 models from Llama, Qwen and Gemma families across 52 tasks from Natural Instructions dataset. Our evaluation covers robustness methods from both fine-tuned and in-context learning paradigms, and tests their generalization against multiple types of distribution shifts. Finally, we extend our analysis to GPT-4.1 and DeepSeek V3 to assess frontier models' current robustness to format perturbations. Our findings offer actionable insights into the relative effectiveness of these robustness methods, enabling practitioners to make informed decisions when aiming for stable and reliable LLM performance in real-world applications. Code: https://github.com/AIRI-Institute/when-punctuation-matters.

Memory plays a pivotal role in enabling large language model~(LLM)-based agents to engage in complex and long-term interactions, such as question answering (QA) and dialogue systems. While various memory modules have been proposed for these tasks, the impact of different memory structures across tasks remains insufficiently explored. This paper investigates how memory structures and memory retrieval methods affect the performance of LLM-based agents. Specifically, we evaluate four types of memory structures, including chunks, knowledge triples, atomic facts, and summaries, along with mixed memory that combines these components. In addition, we evaluate three widely used memory retrieval methods: single-step retrieval, reranking, and iterative retrieval. Extensive experiments conducted across four tasks and six datasets yield the following key insights: (1) Different memory structures offer distinct advantages, enabling them to be tailored to specific tasks; (2) Mixed memory structures demonstrate remarkable resilience in noisy environments; (3) Iterative retrieval consistently outperforms other methods across various scenarios. Our investigation aims to inspire further research into the design of memory systems for LLM-based agents.

Chemical language models (CLMs) are prominent for their effectiveness in exploring chemical space and enabling molecular engineering. However, while exploring chemical-linguistic space, CLMs suffer from the gap between natural language and molecular representations. This challenge is primarily due to the inherent modeling differences between molecules and texts: molecules operate unified modeling to learn chemical space, while natural language sequentially models the semantic space. Additionally, the limited availability of high-quality text-to-molecule datasets further exacerbates this challenge. To address the problem, we first verified the information bias in molecular representations from different perspectives. We then developed the Heterogeneous Molecular Encoding (HME) framework, a unified molecular encoder compressing the molecular features from fragment sequence, topology, and conformation with Q-learning. To better model chemical-linguistic space, we further constructed the MCMoD dataset, which contains over one million molecules with various conditions, including properties, fragments, and descriptions. Experimentally, HME promotes CLMs to achieve chemical-linguistic sharing space exploration: (1) chemical space exploration with linguistic guidance, where HME achieves significant improvements (+37.8\% FCD) for molecular design in multiple constraints, even in zero-shot scenarios; (2) linguistic space exploration with molecular guidance, where HME generates textual descriptions with high qualities (+11.6\% BLEU) for molecules. These results highlight the precision of HME in handling multi-objective and cross-domain tasks, as well as its remarkable generalization capability on unseen task combinations. HME offers a new perspective on navigating chemical-linguistic sharing space, advancing the potential of CLMs in both fundamental research and practical applications in chemistry.

We introduce WIQA, the first large-scale dataset of "What if..." questions over procedural text. WIQA contains three parts: a collection of paragraphs each describing a process, e.g., beach erosion; a set of crowdsourced influence graphs for each paragraph, describing how one change affects another; and a large (40k) collection of "What if...?" multiple-choice questions derived from the graphs. For example, given a paragraph about beach erosion, would stormy weather result in more or less erosion (or have no effect)? The task is to answer the questions, given their associated paragraph. WIQA contains three kinds of questions: perturbations to steps mentioned in the paragraph; external (out-of-paragraph) perturbations requiring commonsense knowledge; and irrelevant (no effect) perturbations. We find that state-of-the-art models achieve 73.8% accuracy, well below the human performance of 96.3%. We analyze the challenges, in particular tracking chains of influences, and present the dataset as an open challenge to the community.

The common practice for training commonsense models has gone from-human-to-corpus-to-machine: humans author commonsense knowledge graphs in order to train commonsense models. In this work, we investigate an alternative, from-machine-to-corpus-to-machine: general language models author these commonsense knowledge graphs to train commonsense models. Our study leads to a new framework, Symbolic Knowledge Distillation. As with prior art in Knowledge Distillation (Hinton et al., 2015), our approach uses larger models to teach smaller models. A key difference is that we distill knowledge symbolically-as text-in addition to the neural model. We also distill only one aspect-the commonsense of a general language model teacher, allowing the student to be a different type, a commonsense model. Altogether, we show that careful prompt engineering and a separately trained critic model allow us to selectively distill high-quality causal commonsense from GPT-3, a general language model. Empirical results demonstrate that, for the first time, a human-authored commonsense knowledge graph is surpassed by our automatically distilled variant in all three criteria: quantity, quality, and diversity. In addition, it results in a neural commonsense model that surpasses the teacher model's commonsense capabilities despite its 100x smaller size. We apply this to the ATOMIC resource, and share our new symbolic knowledge graph and commonsense models.

In this work, we describe strategies and provide case-study activities that can be used to examine the properties of superposition, entanglement, tagging, complementarity, and measurement in quantum curricula geared for teacher training. Having a solid foundation in these conceptual ideas is critical for educators who will be adopting quantum ideas within the classroom. Yet they are some of the most difficult concepts to master. We show how one can systematically develop these conceptual foundations with thought experiments on light and with thought experiments that employ the Stern-Gerlach experiment. We emphasize the importance of computer animations in aiding the instruction on these concepts.

The J-PARC Hadron Experimental Facility was constructed with an aim to explore the origin and evolution of matter in the universe through the experiments with intense particle beams. In the past decade, many results on particle and nuclear physics have been obtained at the present facility. To expand the physics programs to unexplored regions never achieved, the extension project of the Hadron Experimental Facility has been extensively discussed. This white paper presents the physics of the extension of the Hadron Experimental Facility for resolving the issues in the fields of the strangeness nuclear physics, hadron physics, and flavor physics.

We present SODA: the first publicly available, million-scale high-quality social dialogue dataset. Using SODA, we train COSMO: a generalizable conversation agent outperforming previous best-performing agents on both in- and out-of-domain datasets. In contrast to most existing crowdsourced, small-scale dialogue corpora, we distill 1.5M socially-grounded dialogues from a pre-trained language model (InstructGPT; Ouyang et al., 2022). Dialogues are distilled by contextualizing social commonsense knowledge from a knowledge graph (Atomic10x; West et al., 2022). Human evaluation shows that dialogues in SODA are more consistent, specific, and (surprisingly) natural than prior human-authored datasets - e.g., DailyDialog (Li et al., 2017), BlendedSkillTalk (Smith et al., 2020). In addition, extensive evaluations show that COSMO is significantly more natural and consistent on unseen datasets than best-performing dialogue models - e.g., GODEL (Peng et al., 2022), BlenderBot (Roller et al., 2021), DialoGPT (Zhang et al., 2020). Furthermore, it is sometimes even preferred to the original human-written gold responses. We make our data, models, and code public.

Thanks to rapid progress in artificial intelligence, we have entered an era when technology and philosophy intersect in interesting ways. Sitting squarely at the centre of this intersection are large language models (LLMs). The more adept LLMs become at mimicking human language, the more vulnerable we become to anthropomorphism, to seeing the systems in which they are embedded as more human-like than they really are. This trend is amplified by the natural tendency to use philosophically loaded terms, such as "knows", "believes", and "thinks", when describing these systems. To mitigate this trend, this paper advocates the practice of repeatedly stepping back to remind ourselves of how LLMs, and the systems of which they form a part, actually work. The hope is that increased scientific precision will encourage more philosophical nuance in the discourse around artificial intelligence, both within the field and in the public sphere.

Fine-grained few-shot entity extraction in the chemical domain faces two unique challenges. First, compared with entity extraction tasks in the general domain, sentences from chemical papers usually contain more entities. Moreover, entity extraction models usually have difficulty extracting entities of long-tailed types. In this paper, we propose Chem-FINESE, a novel sequence-to-sequence (seq2seq) based few-shot entity extraction approach, to address these two challenges. Our Chem-FINESE has two components: a seq2seq entity extractor to extract named entities from the input sentence and a seq2seq self-validation module to reconstruct the original input sentence from extracted entities. Inspired by the fact that a good entity extraction system needs to extract entities faithfully, our new self-validation module leverages entity extraction results to reconstruct the original input sentence. Besides, we design a new contrastive loss to reduce excessive copying during the extraction process. Finally, we release ChemNER+, a new fine-grained chemical entity extraction dataset that is annotated by domain experts with the ChemNER schema. Experiments in few-shot settings with both ChemNER+ and CHEMET datasets show that our newly proposed framework has contributed up to 8.26% and 6.84% absolute F1-score gains respectively.

Keyphrase generation has primarily been explored within the context of academic research articles, with a particular focus on scientific domains and the English language. In this work, we present EUROPA, a dataset for multilingual keyphrase generation in the legal domain. It is derived from legal judgments from the Court of Justice of the European Union (EU), and contains instances in all 24 EU official languages. We run multilingual models on our corpus and analyze the results, showing room for improvement on a domain-specific multilingual corpus such as the one we present.

Recent advancements in biological research leverage the integration of molecules, proteins, and natural language to enhance drug discovery. However, current models exhibit several limitations, such as the generation of invalid molecular SMILES, underutilization of contextual information, and equal treatment of structured and unstructured knowledge. To address these issues, we propose BioT5, a comprehensive pre-training framework that enriches cross-modal integration in biology with chemical knowledge and natural language associations. BioT5 utilizes SELFIES for 100% robust molecular representations and extracts knowledge from the surrounding context of bio-entities in unstructured biological literature. Furthermore, BioT5 distinguishes between structured and unstructured knowledge, leading to more effective utilization of information. After fine-tuning, BioT5 shows superior performance across a wide range of tasks, demonstrating its strong capability of capturing underlying relations and properties of bio-entities. Our code is available at https://github.com/QizhiPei/BioT5{Github}.

Acquiring training data to improve the robustness of dialog systems can be a painstakingly long process. In this work, we propose a method to reduce the cost and effort of creating new conversational agents by artificially generating more data from existing examples, using paraphrase generation. Our proposed approach can kick-start a dialog system with little human effort, and brings its performance to a level satisfactory enough for allowing actual interactions with real end-users. We experimented with two neural paraphrasing approaches, namely Neural Machine Translation and a Transformer-based seq2seq model. We present the results obtained with two datasets in English and in French:~a crowd-sourced public intent classification dataset and our own corporate dialog system dataset. We show that our proposed approach increased the generalization capabilities of the intent classification model on both datasets, reducing the effort required to initialize a new dialog system and helping to deploy this technology at scale within an organization.

This article provides an introduction to surface code quantum computing. We first estimate the size and speed of a surface code quantum computer. We then introduce the concept of the stabilizer, using two qubits, and extend this concept to stabilizers acting on a two-dimensional array of physical qubits, on which we implement the surface code. We next describe how logical qubits are formed in the surface code array and give numerical estimates of their fault-tolerance. We outline how logical qubits are physically moved on the array, how qubit braid transformations are constructed, and how a braid between two logical qubits is equivalent to a controlled-NOT. We then describe the single-qubit Hadamard, S and T operators, completing the set of required gates for a universal quantum computer. We conclude by briefly discussing physical implementations of the surface code. We include a number of appendices in which we provide supplementary information to the main text.

Text detoxification is a textual style transfer (TST) task where a text is paraphrased from a toxic surface form, e.g. featuring rude words, to the neutral register. Recently, text detoxification methods found their applications in various task such as detoxification of Large Language Models (LLMs) (Leong et al., 2023; He et al., 2024; Tang et al., 2023) and toxic speech combating in social networks (Deng et al., 2023; Mun et al., 2023; Agarwal et al., 2023). All these applications are extremely important to ensure safe communication in modern digital worlds. However, the previous approaches for parallel text detoxification corpora collection -- ParaDetox (Logacheva et al., 2022) and APPADIA (Atwell et al., 2022) -- were explored only in monolingual setup. In this work, we aim to extend ParaDetox pipeline to multiple languages presenting MultiParaDetox to automate parallel detoxification corpus collection for potentially any language. Then, we experiment with different text detoxification models -- from unsupervised baselines to LLMs and fine-tuned models on the presented parallel corpora -- showing the great benefit of parallel corpus presence to obtain state-of-the-art text detoxification models for any language.

We present a new Icelandic-English parallel corpus, the Icelandic Parallel Abstracts Corpus (IPAC), composed of abstracts from student theses and dissertations. The texts were collected from the Skemman repository which keeps records of all theses, dissertations and final projects from students at Icelandic universities. The corpus was aligned based on sentence-level BLEU scores, in both translation directions, from NMT models using Bleualign. The result is a corpus of 64k sentence pairs from over 6 thousand parallel abstracts.

We present a new resource for the NLP community, namely a large (3.5M+ sentence) knowledge base of *generic statements*, e.g., "Trees remove carbon dioxide from the atmosphere", collected from multiple corpora. This is the first large resource to contain *naturally occurring* generic sentences, as opposed to extracted or crowdsourced triples, and thus is rich in high-quality, general, semantically complete statements. All GenericsKB sentences are annotated with their topical term, surrounding context (sentences), and a (learned) confidence. We also release GenericsKB-Best (1M+ sentences), containing the best-quality generics in GenericsKB augmented with selected, synthesized generics from WordNet and ConceptNet. In tests on two existing datasets requiring multihop reasoning (OBQA and QASC), we find using GenericsKB can result in higher scores and better explanations than using a much larger corpus. This demonstrates that GenericsKB can be a useful resource for NLP applications, as well as providing data for linguistic studies of generics and their semantics. GenericsKB is available at https://allenai.org/data/genericskb.

Existing text simplification or paraphrase datasets mainly focus on sentence-level text generation in a general domain. These datasets are typically developed without using domain knowledge. In this paper, we release a novel dataset, VTechAGP, which is the first academic-to-general-audience text paraphrase dataset consisting of 4,938 document-level these and dissertation academic and general-audience abstract pairs from 8 colleges authored over 25 years. We also propose a novel dynamic soft prompt generative language model, DSPT5. For training, we leverage a contrastive-generative loss function to learn the keyword vectors in the dynamic prompt. For inference, we adopt a crowd-sampling decoding strategy at both semantic and structural levels to further select the best output candidate. We evaluate DSPT5 and various state-of-the-art large language models (LLMs) from multiple perspectives. Results demonstrate that the SOTA LLMs does not provide satisfactory outcomes, while the lightweight DSPT5 can achieve competitive results. To the best of our knowledge, we are the first to build a benchmark dataset and solutions for academic-to-general-audience text paraphrase dataset.

Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. This is relevant for the chemical sciences, which face the problem of small and diverse datasets that are frequently in the form of text. LLMs have shown promise in addressing these issues and are increasingly being harnessed to predict chemical properties, optimize reactions, and even design and conduct experiments autonomously. However, we still have only a very limited systematic understanding of the chemical reasoning capabilities of LLMs, which would be required to improve models and mitigate potential harms. Here, we introduce "ChemBench," an automated framework designed to rigorously evaluate the chemical knowledge and reasoning abilities of state-of-the-art LLMs against the expertise of human chemists. We curated more than 7,000 question-answer pairs for a wide array of subfields of the chemical sciences, evaluated leading open and closed-source LLMs, and found that the best models outperformed the best human chemists in our study on average. The models, however, struggle with some chemical reasoning tasks that are easy for human experts and provide overconfident, misleading predictions, such as about chemicals' safety profiles. These findings underscore the dual reality that, although LLMs demonstrate remarkable proficiency in chemical tasks, further research is critical to enhancing their safety and utility in chemical sciences. Our findings also indicate a need for adaptations to chemistry curricula and highlight the importance of continuing to develop evaluation frameworks to improve safe and useful LLMs.

The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering -- generally denoted as inverse design -- was based massively on human intuition and high-throughput virtual screening. The last few years have seen the emergence of significant interest in computer-inspired designs based on evolutionary or deep learning methods. The major challenge here is that the standard strings molecular representation SMILES shows substantial weaknesses in that task because large fractions of strings do not correspond to valid molecules. Here, we solve this problem at a fundamental level and introduce SELFIES (SELF-referencIng Embedded Strings), a string-based representation of molecules which is 100\% robust. Every SELFIES string corresponds to a valid molecule, and SELFIES can represent every molecule. SELFIES can be directly applied in arbitrary machine learning models without the adaptation of the models; each of the generated molecule candidates is valid. In our experiments, the model's internal memory stores two orders of magnitude more diverse molecules than a similar test with SMILES. Furthermore, as all molecules are valid, it allows for explanation and interpretation of the internal working of the generative models.

The AMS-02 experiment recently published time-dependent fluxes of deuterons (D) from May 2011 to April 2021, divided into 33 periods of four Bartels rotations each. These temporal structures are associated with solar modulation. In this study, three modified force-field approximation are employed to examine the long-term behavior of cosmic-ray (CR) isotopes such as D, ^3He, and ^4He, as well as the ratios D/^3He and ^3He/^4He. The solar modulation potential is rigidity-dependent for these modified force-field approximation models. Due to the unknown local interstellar spectrum (LIS) for these isotopes, we utilize the Non-LIS method for solar modulation. By fitting to the AMS-02 time-dependent fluxes, we derive the solar modulation parameters. Our findings prove the assumption in literature that all isotopes can be fitted using the same solar modulation parameters and it shown that the modified FFA models are validated parametrization for solar modulation. Based on these, we forecast the daily fluxes of D, ^3He and ^4He from 2011 to 2020.

We discuss an algorithm which produces the meaning of a sentence given meanings of its words, and its resemblance to quantum teleportation. In fact, this protocol was the main source of inspiration for this algorithm which has many applications in the area of Natural Language Processing.

Context: Recent research indicates that Web queries written by software developers are not very successful in retrieving relevant results, performing measurably worse compared to general purpose Web queries. Most approaches up to this point have addressed this problem with software engineering-specific automated query reformulation techniques, which work without developer involvement but are limited by the content of the original query. In other words, these techniques automatically improve the existing query but can not contribute new, previously unmentioned, concepts. Objective: In this paper, we propose a technique to guide software developers in manually improving their own Web search queries. We examine a conversational approach that follows unsuccessful queries with a clarification question aimed at eliciting additional query terms, thus providing to the developer a clear dimension along which the query could be improved. Methods: We describe a set of clarification questions derived from a corpus of software developer queries and a neural approach to recommending them for a newly issued query. Results: Our evaluation indicates that the recommendation technique is accurate, predicting a valid clarification question 80% of the time and outperforms simple baselines, as well as, state-of-the-art Learning To Rank (LTR) baselines. Conclusion: As shown in the experimental results, the described approach is capable at recommending appropriate clarification questions to software developers and considered useful by a sample of developers ranging from novices to experienced professionals.

We introduce featom, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or exponential, and the convergence can be systematically controlled by increasing the number and/or polynomial order of the finite element basis functions. The Dirac equation is solved using a squared Hamiltonian approach to eliminate spurious states. To address the slow convergence of the kappa=pm1 states due to divergent derivatives at the origin, we incorporate known asymptotic forms into the solutions. We achieve a high level of accuracy (10^{-8} Hartree) for total energies and eigenvalues of heavy atoms such as uranium in both Schr\"odinger and Dirac Kohn-Sham solutions. We provide detailed convergence studies and computational parameters required to attain commonly required accuracies. Finally, we compare our results with known analytic results as well as the results of other methods. In particular, we calculate benchmark results for atomic numbers (Z) from 1 to 92, verifying current benchmarks. We demonstrate significant speedup compared to the state-of-the-art shooting solver dftatom. An efficient, modular Fortran 2008 implementation, is provided under an open source, permissive license, including examples and tests, wherein particular emphasis is placed on the independence (no global variables), reusability, and generality of the individual routines.

The increasing capabilities of Large Language Models (LLMs) have raised concerns about their misuse in AI-generated plagiarism and social engineering. While various AI-generated text detectors have been proposed to mitigate these risks, many remain vulnerable to simple evasion techniques such as paraphrasing. However, recent detectors have shown greater robustness against such basic attacks. In this work, we introduce Adversarial Paraphrasing, a training-free attack framework that universally humanizes any AI-generated text to evade detection more effectively. Our approach leverages an off-the-shelf instruction-following LLM to paraphrase AI-generated content under the guidance of an AI text detector, producing adversarial examples that are specifically optimized to bypass detection. Extensive experiments show that our attack is both broadly effective and highly transferable across several detection systems. For instance, compared to simple paraphrasing attack--which, ironically, increases the true positive at 1% false positive (T@1%F) by 8.57% on RADAR and 15.03% on Fast-DetectGPT--adversarial paraphrasing, guided by OpenAI-RoBERTa-Large, reduces T@1%F by 64.49% on RADAR and a striking 98.96% on Fast-DetectGPT. Across a diverse set of detectors--including neural network-based, watermark-based, and zero-shot approaches--our attack achieves an average T@1%F reduction of 87.88% under the guidance of OpenAI-RoBERTa-Large. We also analyze the tradeoff between text quality and attack success to find that our method can significantly reduce detection rates, with mostly a slight degradation in text quality. Our adversarial setup highlights the need for more robust and resilient detection strategies in the light of increasingly sophisticated evasion techniques.

Computational Humor involves several tasks, such as humor recognition, humor generation, and humor scoring, for which it is useful to have human-curated data. In this work we present a corpus of 27,000 tweets written in Spanish and crowd-annotated by their humor value and funniness score, with about four annotations per tweet, tagged by 1,300 people over the Internet. It is equally divided between tweets coming from humorous and non-humorous accounts. The inter-annotator agreement Krippendorff's alpha value is 0.5710. The dataset is available for general use and can serve as a basis for humor detection and as a first step to tackle subjectivity.

Detoxifying offensive language while preserving the speaker's original intent is a challenging yet critical goal for improving the quality of online interactions. Although large language models (LLMs) show promise in rewriting toxic content, they often default to overly polite rewrites, distorting the emotional tone and communicative intent. This problem is especially acute in Chinese, where toxicity often arises implicitly through emojis, homophones, or discourse context. We present ToxiRewriteCN, the first Chinese detoxification dataset explicitly designed to preserve sentiment polarity. The dataset comprises 1,556 carefully annotated triplets, each containing a toxic sentence, a sentiment-aligned non-toxic rewrite, and labeled toxic spans. It covers five real-world scenarios: standard expressions, emoji-induced and homophonic toxicity, as well as single-turn and multi-turn dialogues. We evaluate 17 LLMs, including commercial and open-source models with variant architectures, across four dimensions: detoxification accuracy, fluency, content preservation, and sentiment polarity. Results show that while commercial and MoE models perform best overall, all models struggle to balance safety with emotional fidelity in more subtle or context-heavy settings such as emoji, homophone, and dialogue-based inputs. We release ToxiRewriteCN to support future research on controllable, sentiment-aware detoxification for Chinese.

We introduce Stable Code, the first in our new-generation of code language models series, which serves as a general-purpose base code language model targeting code completion, reasoning, math, and other software engineering-based tasks. Additionally, we introduce an instruction variant named Stable Code Instruct that allows conversing with the model in a natural chat interface for performing question-answering and instruction-based tasks. In this technical report, we detail the data and training procedure leading to both models. Their weights are available via Hugging Face for anyone to download and use at https://huggingface.co/stabilityai/stable-code-3b and https://huggingface.co/stabilityai/stable-code-instruct-3b. This report contains thorough evaluations of the models, including multilingual programming benchmarks, and the MT benchmark focusing on multi-turn dialogues. At the time of its release, Stable Code is the state-of-the-art open model under 3B parameters and even performs comparably to larger models of sizes 7 billion and 15 billion parameters on the popular Multi-PL benchmark. Stable Code Instruct also exhibits state-of-the-art performance on the MT-Bench coding tasks and on Multi-PL completion compared to other instruction tuned models. Given its appealing small size, we also provide throughput measurements on a number of edge devices. In addition, we open source several quantized checkpoints and provide their performance metrics compared to the original model.

Precise recognition of search intent in Retrieval-Augmented Generation (RAG) systems remains a challenging goal, especially under resource constraints and for complex queries with nested structures and dependencies. This paper presents QCompiler, a neuro-symbolic framework inspired by linguistic grammar rules and compiler design, to bridge this gap. It theoretically designs a minimal yet sufficient Backus-Naur Form (BNF) grammar G[q] to formalize complex queries. Unlike previous methods, this grammar maintains completeness while minimizing redundancy. Based on this, QCompiler includes a Query Expression Translator, a Lexical Syntax Parser, and a Recursive Descent Processor to compile queries into Abstract Syntax Trees (ASTs) for execution. The atomicity of the sub-queries in the leaf nodes ensures more precise document retrieval and response generation, significantly improving the RAG system's ability to address complex queries.

The ability to generate SPARQL queries from natural language questions is crucial for ensuring efficient and accurate retrieval of structured data from knowledge graphs (KG). While large language models (LLMs) have been widely adopted for SPARQL query generation, they are often susceptible to hallucinations and out-of-distribution errors when producing KG elements like Uniform Resource Identifiers (URIs) based on internal parametric knowledge. This often results in content that appears plausible but is factually incorrect, posing significant challenges for their use in real-world information retrieval (IR) applications. This has led to increased research aimed at detecting and mitigating such errors. In this paper, we introduce PGMR (Post-Generation Memory Retrieval), a modular framework that incorporates a non-parametric memory module to retrieve KG elements and enhance LLM-based SPARQL query generation. Our experimental results indicate that PGMR consistently delivers strong performance across diverse datasets, data distributions, and LLMs. Notably, PGMR significantly mitigates URI hallucinations, nearly eliminating the problem in several scenarios.

We use the Wide Field Camera 3 (WFC3) on the Hubble Space Telescope (HST) to reduce the uncertainty in the local value of the Hubble constant (H_0) from 3.3% to 2.4%. Improvements come from new, near-infrared observations of Cepheid variables in 11 new hosts of recent SNe~Ia, more than doubling the sample of SNe~Ia having a Cepheid-calibrated distance for a total of 19; these leverage the magnitude-z relation based on 300 SNe~Ia at z<0.15. All 19 hosts and the megamaser system NGC4258 were observed with WFC3, thus nullifying cross-instrument zeropoint errors. Other improvements include a 33% reduction in the systematic uncertainty in the maser distance to NGC4258, more Cepheids and a more robust distance to the LMC from late-type DEBs, HST observations of Cepheids in M31, and new HST-based trigonometric parallaxes for Milky Way (MW) Cepheids. We consider four geometric distance calibrations of Cepheids: (i) megamasers in NGC4258, (ii) 8 DEBs in the LMC, (iii) 15 MW Cepheids with parallaxes, and (iv) 2 DEBs in M31. H_0 from each is 72.25+/-2.51, 72.04+/-2.67, 76.18+/-2.37, and 74.50+/-3.27 km/sec/Mpc, respectively. Our best estimate of 73.24+/-1.74 km/sec/Mpc combines the anchors NGC4258, MW, and LMC, and includes systematic errors for a final uncertainty of 2.4%. This value is 3.4 sigma higher than 66.93+/-0.62 km/sec/Mpc predicted by LambdaCDM with 3 neutrinos with mass 0.06 eV and the Planck data, but reduces to 2.1 sigma relative to the prediction of 69.3+/-0.7 km/sec/Mpc with the combination of WMAP+ACT+SPT+BAO, suggesting systematic uncertainties in CMB measurements may play a role in the tension. If we take the conflict between Planck and H_0 at face value, one plausible explanation could involve an additional source of dark radiation in the early Universe in the range of Delta N_eff=0.4-1. We anticipate significant improvements in H_0 from upcoming parallax measurements.

Progress in sentence simplification has been hindered by a lack of labeled parallel simplification data, particularly in languages other than English. We introduce MUSS, a Multilingual Unsupervised Sentence Simplification system that does not require labeled simplification data. MUSS uses a novel approach to sentence simplification that trains strong models using sentence-level paraphrase data instead of proper simplification data. These models leverage unsupervised pretraining and controllable generation mechanisms to flexibly adjust attributes such as length and lexical complexity at inference time. We further present a method to mine such paraphrase data in any language from Common Crawl using semantic sentence embeddings, thus removing the need for labeled data. We evaluate our approach on English, French, and Spanish simplification benchmarks and closely match or outperform the previous best supervised results, despite not using any labeled simplification data. We push the state of the art further by incorporating labeled simplification data.

The binding energies of the five bound rotational levels J=0-4 in the highest vibrational level v=14 in the X^1Sigma_g^+ ground electronic state of H_2 were measured in a three-step ultraviolet-laser experiment. Two-photon UV-photolysis of H_2S produced population in these high-lying bound states, that were subsequently interrogated at high precision via Doppler-free spectroscopy of the F^1Sigma_g^+ - X^1Sigma_g^+ system. A third UV-laser was used for detection through auto-ionizing resonances. The experimentally determined binding energies were found to be in excellent agreement with calculations based on non-adiabatic perturbation theory, also including relativistic and quantum electrodynamical contributions. The s-wave scattering length of the H + H system is derived from the binding energy of the last bound J=0 level via a direct semi-empirical approach, yielding a value of a_s = 0.2724(5) a_0, in good agreement with a result from a previously followed theoretical approach. The subtle effect of the malpha^4 relativity contribution to a_s was found to be significant. In a similar manner a value for the p-wave scattering volume is determined via the J=1 binding energy yielding a_p = -134.0000(6) a_0^3. The binding energy of the last bound state in H_2, the (v=14, J=4) level, is determined at 0.023(4) cm^{-1}, in good agreement with calculation. The effect of the hyperfine substructure caused by the two hydrogen atoms at large internuclear separation, giving rise to three distinct dissociation limits, is discussed.

Understanding molecules is key to understanding organisms and driving advances in drug discovery, requiring interdisciplinary knowledge across chemistry and biology. Although large molecular language models have achieved notable success in interpreting molecular structures, their instruction datasets are limited to the specific knowledge from task-oriented datasets and do not fully cover the fundamental characteristics of molecules, hindering their abilities as general-purpose molecular assistants. To address this issue, we propose Mol-LLaMA, a large molecular language model that grasps the general knowledge centered on molecules via multi-modal instruction tuning. To this end, we design key data types that encompass the fundamental features of molecules, incorporating essential knowledge from molecular structures. In addition, to improve understanding of molecular features, we introduce a module that integrates complementary information from different molecular encoders, leveraging the distinct advantages of different molecular representations. Our experimental results demonstrate that Mol-LLaMA is capable of comprehending the general features of molecules and generating relevant responses to users' queries with detailed explanations, implying its potential as a general-purpose assistant for molecular analysis.

We introduce Orb-v3, the next generation of the Orb family of universal interatomic potentials. Models in this family expand the performance-speed-memory Pareto frontier, offering near SoTA performance across a range of evaluations with a >10x reduction in latency and > 8x reduction in memory. Our experiments systematically traverse this frontier, charting the trade-off induced by roto-equivariance, conservatism and graph sparsity. Contrary to recent literature, we find that non-equivariant, non-conservative architectures can accurately model physical properties, including those which require higher-order derivatives of the potential energy surface. This model release is guided by the principle that the most valuable foundation models for atomic simulation will excel on all fronts: accuracy, latency and system size scalability. The reward for doing so is a new era of computational chemistry driven by high-throughput and mesoscale all-atom simulations.

We performed the optical spectroscopy of 16 classical Be stars in 11 open clusters older than 100 Myr. Ours is the first spectroscopic study of classical Be stars in open clusters older than 100 Myr. We found that the H alpha emission strength of most of the stars is less than 40 Angstrom, in agreement with previous studies. Our analysis further suggests that one of the stars, KW97 35 12, might be a weak H alpha emitter in nature, showing H alpha equivalent width of negative 0.5 Angstrom. Interestingly, we also found that the newly detected classical Be star LS III 47 37b might be a component of the possible visual binary system LS III 47 37, where the other companion is also a classical Be star. Hence, the present study indicates the possible detection of a binary Be system. Moreover, it is observed that all 16 stars exhibit a lesser number of emission lines compared to classical Be stars younger than 100 Myr. Furthermore, the spectral type distribution analysis of B type and classical Be stars for the selected clusters points out that the existence of CBe stars can depend on the spectral type distribution of B type stars present in these clusters.

Recognizing entities in texts is a central need in many information-seeking scenarios, and indeed, Named Entity Recognition (NER) is arguably one of the most successful examples of a widely adopted NLP task and corresponding NLP technology. Recent advances in large language models (LLMs) appear to provide effective solutions (also) for NER tasks that were traditionally handled with dedicated models, often matching or surpassing the abilities of the dedicated models. Should NER be considered a solved problem? We argue to the contrary: the capabilities provided by LLMs are not the end of NER research, but rather an exciting beginning. They allow taking NER to the next level, tackling increasingly more useful, and increasingly more challenging, variants. We present three variants of the NER task, together with a dataset to support them. The first is a move towards more fine-grained -- and intersectional -- entity types. The second is a move towards zero-shot recognition and extraction of these fine-grained types based on entity-type labels. The third, and most challenging, is the move from the recognition setup to a novel retrieval setup, where the query is a zero-shot entity type, and the expected result is all the sentences from a large, pre-indexed corpus that contain entities of these types, and their corresponding spans. We show that all of these are far from being solved. We provide a large, silver-annotated corpus of 4 million paragraphs covering 500 entity types, to facilitate research towards all of these three goals.

Large Language Models (LLMs) effectiveness is usually evaluated by means of benchmarks such as MMLU, ARC-C, or HellaSwag, where questions are presented in their original wording, thus in a fixed, standardized format. However, real-world applications involve linguistic variability, requiring models to maintain their effectiveness across diverse rewordings of the same question or query. In this study, we systematically assess the robustness of LLMs to paraphrased benchmark questions and investigate whether benchmark-based evaluations provide a reliable measure of model capabilities. We systematically generate various paraphrases of all the questions across six different common benchmarks, and measure the resulting variations in effectiveness of 34 state-of-the-art LLMs, of different size and effectiveness. Our findings reveal that while LLM rankings remain relatively stable across paraphrased inputs, absolute effectiveness scores change, and decline significantly. This suggests that LLMs struggle with linguistic variability, raising concerns about their generalization abilities and evaluation methodologies. Furthermore, the observed performance drop challenges the reliability of benchmark-based evaluations, indicating that high benchmark scores may not fully capture a model's robustness to real-world input variations. We discuss the implications of these findings for LLM evaluation methodologies, emphasizing the need for robustness-aware benchmarks that better reflect practical deployment scenarios.

Prompt sensitivity, referring to the phenomenon where paraphrasing (i.e., repeating something written or spoken using different words) leads to significant changes in large language model (LLM) performance, has been widely accepted as a core limitation of LLMs. In this work, we revisit this issue and ask: Is the widely reported high prompt sensitivity truly an inherent weakness of LLMs, or is it largely an artifact of evaluation processes? To answer this question, we systematically evaluate 7 LLMs (e.g., GPT and Gemini family) across 6 benchmarks, including both multiple-choice and open-ended tasks on 12 diverse prompt templates. We find that much of the prompt sensitivity stems from heuristic evaluation methods, including log-likelihood scoring and rigid answer matching, which often overlook semantically correct responses expressed through alternative phrasings, such as synonyms or paraphrases. When we adopt LLM-as-a-Judge evaluations, we observe a substantial reduction in performance variance and a consistently higher correlation in model rankings across prompts. Our findings suggest that modern LLMs are more robust to prompt templates than previously believed, and that prompt sensitivity may be more an artifact of evaluation than a flaw in the models.

Retrieval-augmented generation (RAG) has emerged as a powerful framework for enhancing large language models (LLMs) with external knowledge, particularly in scientific domains that demand specialized and dynamic information. Despite its promise, the application of RAG in the chemistry domain remains underexplored, primarily due to the lack of high-quality, domain-specific corpora and well-curated evaluation benchmarks. In this work, we introduce ChemRAG-Bench, a comprehensive benchmark designed to systematically assess the effectiveness of RAG across a diverse set of chemistry-related tasks. The accompanying chemistry corpus integrates heterogeneous knowledge sources, including scientific literature, the PubChem database, PubMed abstracts, textbooks, and Wikipedia entries. In addition, we present ChemRAG-Toolkit, a modular and extensible RAG toolkit that supports five retrieval algorithms and eight LLMs. Using ChemRAG-Toolkit, we demonstrate that RAG yields a substantial performance gain -- achieving an average relative improvement of 17.4% over direct inference methods. We further conduct in-depth analyses on retriever architectures, corpus selection, and the number of retrieved passages, culminating in practical recommendations to guide future research and deployment of RAG systems in the chemistry domain. The code and data is available at https://chemrag.github.io.

Existing KBQA methods have traditionally relied on multi-stage methodologies, involving tasks such as entity linking, subgraph retrieval and query structure generation. However, multi-stage approaches are dependent on the accuracy of preceding steps, leading to cascading errors and increased inference time. Although a few studies have explored the use of end-to-end models, they often suffer from lower accuracy and generate inoperative query that is not supported by the underlying data. Furthermore, most prior approaches are limited to the static training data, potentially overlooking the evolving nature of knowledge bases over time. To address these challenges, we present a novel end-to-end natural language to SPARQL framework, SPARKLE. Notably SPARKLE leverages the structure of knowledge base directly during the decoding, effectively integrating knowledge into the query generation. Our study reveals that simply referencing knowledge base during inference significantly reduces the occurrence of inexecutable query generations. SPARKLE achieves new state-of-the-art results on SimpleQuestions-Wiki and highest F1 score on LCQuAD 1.0 (among models not using gold entities), while getting slightly lower result on the WebQSP dataset. Finally, we demonstrate SPARKLE's fast inference speed and its ability to adapt when the knowledge base differs between the training and inference stages.

Evaluating the factuality of long-form text generated by large language models (LMs) is non-trivial because (1) generations often contain a mixture of supported and unsupported pieces of information, making binary judgments of quality inadequate, and (2) human evaluation is time-consuming and costly. In this paper, we introduce FActScore (Factual precision in Atomicity Score), a new evaluation that breaks a generation into a series of atomic facts and computes the percentage of atomic facts supported by a reliable knowledge source. We conduct an extensive human evaluation to obtain FActScores of people biographies generated by several state-of-the-art commercial LMs -- InstructGPT, ChatGPT, and the retrieval-augmented PerplexityAI -- and report new analysis demonstrating the need for such a fine-grained score (e.g., ChatGPT only achieves 58%). Since human evaluation is costly, we also introduce an automated model that estimates FActScore, using retrieval and a strong language model, with less than a 2% error rate. Finally, we use this automated metric to evaluate 6,500 generations from a new set of 13 recent LMs that would have cost $26K if evaluated by humans, with various findings: GPT-4 and ChatGPT are more factual than public models, and Vicuna and Alpaca are some of the best public models.

The integration of molecule and language has garnered increasing attention in molecular science. Recent advancements in Language Models (LMs) have demonstrated potential for the comprehensive modeling of molecule and language. However, existing works exhibit notable limitations. Most existing works overlook the modeling of 3D information, which is crucial for understanding molecular structures and also functions. While some attempts have been made to leverage external structure encoding modules to inject the 3D molecular information into LMs, there exist obvious difficulties that hinder the integration of molecular structure and language text, such as modality alignment and separate tuning. To bridge this gap, we propose 3D-MolT5, a unified framework designed to model both 1D molecular sequence and 3D molecular structure. The key innovation lies in our methodology for mapping fine-grained 3D substructure representations (based on 3D molecular fingerprints) to a specialized 3D token vocabulary for 3D-MolT5. This 3D structure token vocabulary enables the seamless combination of 1D sequence and 3D structure representations in a tokenized format, allowing 3D-MolT5 to encode molecular sequence (SELFIES), molecular structure, and text sequences within a unified architecture. Alongside, we further introduce 1D and 3D joint pre-training to enhance the model's comprehension of these diverse modalities in a joint representation space and better generalize to various tasks for our foundation model. Through instruction tuning on multiple downstream datasets, our proposed 3D-MolT5 shows superior performance than existing methods in molecular property prediction, molecule captioning, and text-based molecule generation tasks. Our code will be available on GitHub soon.

Ultra-fine entity typing plays a crucial role in information extraction by predicting fine-grained semantic types for entity mentions in text. However, this task poses significant challenges due to the massive number of entity types in the output space. The current state-of-the-art approaches, based on standard multi-label classifiers or cross-encoder models, suffer from poor generalization performance or inefficient inference. In this paper, we present CASENT, a seq2seq model designed for ultra-fine entity typing that predicts ultra-fine types with calibrated confidence scores. Our model takes an entity mention as input and employs constrained beam search to generate multiple types autoregressively. The raw sequence probabilities associated with the predicted types are then transformed into confidence scores using a novel calibration method. We conduct extensive experiments on the UFET dataset which contains over 10k types. Our method outperforms the previous state-of-the-art in terms of F1 score and calibration error, while achieving an inference speedup of over 50 times. Additionally, we demonstrate the generalization capabilities of our model by evaluating it in zero-shot and few-shot settings on five specialized domain entity typing datasets that are unseen during training. Remarkably, our model outperforms large language models with 10 times more parameters in the zero-shot setting, and when fine-tuned on 50 examples, it significantly outperforms ChatGPT on all datasets. Our code, models and demo are available at https://github.com/yanlinf/CASENT.

Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them struggle to handle protein understanding and generation tasks concurrently. We propose a unified protein language model, xTrimoPGLM, to address these two types of tasks simultaneously through an innovative pre-training framework. Our key technical contribution is an exploration of the compatibility and the potential for joint optimization of the two types of objectives, which has led to a strategy for training xTrimoPGLM at an unprecedented scale of 100 billion parameters and 1 trillion training tokens. Our extensive experiments reveal that 1) xTrimoPGLM significantly outperforms other advanced baselines in 18 protein understanding benchmarks across four categories. The model also facilitates an atomic-resolution view of protein structures, leading to an advanced 3D structural prediction model that surpasses existing language model-based tools. 2) xTrimoPGLM not only can generate de novo protein sequences following the principles of natural ones, but also can perform programmable generation after supervised fine-tuning (SFT) on curated sequences. These results highlight the substantial capability and versatility of xTrimoPGLM in understanding and generating protein sequences, contributing to the evolving landscape of foundation models in protein science.

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers have developed foundation models for individual scientific domains, including small molecules, materials, proteins, DNA, and RNA. However, these models are typically trained in isolation, lacking the ability to integrate across different scientific domains. Recognizing that entities within these domains can all be represented as sequences, which together form the "language of nature", we introduce Nature Language Model (briefly, NatureLM), a sequence-based science foundation model designed for scientific discovery. Pre-trained with data from multiple scientific domains, NatureLM offers a unified, versatile model that enables various applications including: (i) generating and optimizing small molecules, proteins, RNA, and materials using text instructions; (ii) cross-domain generation/design, such as protein-to-molecule and protein-to-RNA generation; and (iii) achieving state-of-the-art performance in tasks like SMILES-to-IUPAC translation and retrosynthesis on USPTO-50k. NatureLM offers a promising generalist approach for various scientific tasks, including drug discovery (hit generation/optimization, ADMET optimization, synthesis), novel material design, and the development of therapeutic proteins or nucleotides. We have developed NatureLM models in different sizes (1 billion, 8 billion, and 46.7 billion parameters) and observed a clear improvement in performance as the model size increases.

Code provides a general syntactic structure to build complex programs and perform precise computations when paired with a code interpreter - we hypothesize that language models (LMs) can leverage code-writing to improve Chain of Thought reasoning not only for logic and arithmetic tasks, but also for semantic ones (and in particular, those that are a mix of both). For example, consider prompting an LM to write code that counts the number of times it detects sarcasm in an essay: the LM may struggle to write an implementation for "detect_sarcasm(string)" that can be executed by the interpreter (handling the edge cases would be insurmountable). However, LMs may still produce a valid solution if they not only write code, but also selectively "emulate" the interpreter by generating the expected output of "detect_sarcasm(string)". In this work, we propose Chain of Code (CoC), a simple yet surprisingly effective extension that improves LM code-driven reasoning. The key idea is to encourage LMs to format semantic sub-tasks in a program as flexible pseudocode that the interpreter can explicitly catch undefined behaviors and hand off to simulate with an LM (as an "LMulator"). Experiments demonstrate that Chain of Code outperforms Chain of Thought and other baselines across a variety of benchmarks; on BIG-Bench Hard, Chain of Code achieves 84%, a gain of 12% over Chain of Thought. In a nutshell, CoC broadens the scope of reasoning questions that LMs can answer by "thinking in code".